# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-08T07:30:56+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'New Journal of Chemistry') AND volume = 39 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"7054425","16.624","0.004","7.8685","0.0014","28.101","0.005","90","","102.325","0.007","90","","3591.1","1.3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C30 H38 N3 Ni S8 -","- C30 H38 N3 Ni S8 -","- C120 H152 N12 Ni4 S32 -","4","1","","Le Gal, Yann; Vacher, Antoine; Dorcet, Vincent; Fourmigué, Marc; Crassous, Jeanne; Lorcy, Dominique","The near infra red (NIR) chiroptical properties of nickel dithiolene complexes","New J. Chem.","2015","39","1","122","","10.1039/C4NJ01244E","","x-ray","0.71073","MoKα","","0.125","0.0635","","","0.1283","0.156","","","","","","0.996","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054426","8.5565","0.0003","11.6085","0.0003","37.5518","0.001","90","","90","","90","","3729.95","0.19","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N3 S4 -","- C17 H17 N3 S4 -","- C136 H136 N24 S32 -","8","2","","Le Gal, Yann; Vacher, Antoine; Dorcet, Vincent; Fourmigué, Marc; Crassous, Jeanne; Lorcy, Dominique","The near infra red (NIR) chiroptical properties of nickel dithiolene complexes","New J. Chem.","2015","39","1","122","","10.1039/C4NJ01244E","","x-ray","0.71073","MoKα","","0.042","0.0365","","","0.0756","0.078","","","","","","1.026","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7054434","13.508","0.009","24.193","0.016","7.507","0.005","90","","94.864","0.001","90","","2444","3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N3 -","- C30 H33 N3 -","- C120 H132 N12 -","4","1","","Vishnoi, Pratap; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Charge transfer aided selective sensing and capture of picric acid by triphenylbenzenes","New J. Chem.","2015","39","2","886","","10.1039/C4NJ01093K","","","0.71075","MoKα","","0.1581","0.1283","","","0.2274","0.245","","","","","","1.303","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054435","10.766","0.003","13.96","0.005","17.294","0.006","102.357","0.005","98.189","0.005","100.935","0.004","2447","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N12 O21 -","- C48 H42 N12 O21 -","- C96 H84 N24 O42 -","2","1","","Vishnoi, Pratap; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy","Charge transfer aided selective sensing and capture of picric acid by triphenylbenzenes","New J. Chem.","2015","39","2","886","","10.1039/C4NJ01093K","","","0.71075","MoKα","","0.0852","0.0662","","","0.1486","0.1631","","","","","","1.087","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054449","9.8538","0.0003","12.9015","0.0004","12.7365","0.0004","90","","97.033","0.003","90","","1606.99","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Fe N3 O3 -","- C16 H19 Fe N3 O3 -","- C64 H76 Fe4 N12 O12 -","4","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.043","0.0344","","","0.0829","0.0896","","","","","","1.069","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054450","12.5421","0.0007","14.1112","0.0008","9.8489","0.0006","90","","92.506","0.005","90","","1741.43","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Fe N3 O3 -","- C17 H21 Fe N3 O3 -","- C68 H84 Fe4 N12 O12 -","4","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0973","0.084","","","0.2461","0.2652","","","","","","1.037","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054451","7.6098","0.0003","9.9244","0.0004","12.4142","0.0004","94.402","0.003","97.669","0.003","107.436","0.003","879.69","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N3 O4 -","- C17 H23 Fe N3 O4 -","- C34 H46 Fe2 N6 O8 -","2","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0333","0.0288","","","0.0741","0.0776","","","","","","1.026","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054452","6.06","0.0002","12.5298","0.0005","20.6252","0.0005","80.833","0.003","87.615","0.002","87.665","0.003","1543.82","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Fe N4 O3.5 -","- C14 H17 Fe N4 O3.5 -","- C56 H68 Fe4 N16 O14 -","4","2","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0802","0.0677","","","0.1896","0.2023","","","","","","1.103","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7054453","43.0383","0.0015","5.8461","0.0003","8.4347","0.0005","90","","90","","90","","2122.22","0.18","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 Fe N5 O7 -","- C21 H19 Fe N5 O7 -","- C84 H76 Fe4 N20 O28 -","4","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0822","0.0724","","","0.1647","0.1716","","","","","","1.091","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054454","9.4141","0.0004","11.4937","0.0005","11.5265","0.0006","109.571","0.004","96.214","0.004","105.601","0.004","1104.49","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Fe N5 O7 -","- C22 H21 Fe N5 O7 -","- C44 H42 Fe2 N10 O14 -","2","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.049","0.0392","","","0.1011","0.1117","","","","","","1.061","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054455","7.4108","0.0003","13.2305","0.0006","13.7738","0.0005","63.098","0.004","74.466","0.003","78.581","0.004","1155.71","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 Fe N5 O7 -","- C23 H23 Fe N5 O7 -","- C46 H46 Fe2 N10 O14 -","2","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0389","0.0329","","","0.0823","0.0867","","","","","","1.035","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054456","11.0568","0.0004","11.2915","0.0004","11.3242","0.0004","77.032","0.003","73.612","0.003","62.236","0.004","1192.99","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 Fe N5 O7 -","- C23 H23 Fe N5 O7 -","- C46 H46 Fe2 N10 O14 -","2","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0549","0.0447","","","0.1153","0.1258","","","","","","1.021","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054457","22.3748","0.0009","5.7925","0.0003","19.342","0.001","90","","90","","90","","2506.8","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H25 Fe N5 O7 -","- C24 H25 Fe N5 O7 -","- C96 H100 Fe4 N20 O28 -","4","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0892","0.0551","","","0.1113","0.1322","","","","","","1.039","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054458","8.4026","0.0004","10.9599","0.0004","12.3548","0.0005","107.976","0.004","102.058","0.004","92.43","0.004","1051.35","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Fe N6 O7 -","- C20 H18 Fe N6 O7 -","- C40 H36 Fe2 N12 O14 -","2","1","","Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei","Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency","New J. Chem.","2015","39","1","155","","10.1039/C4NJ01216J","","","0.71073","MoKα","","0.0458","0.0358","","","0.0831","0.0901","","","","","","1.026","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054459","15.959","0.005","11.194","0.003","13.281","0.004","90","","100.678","0.005","90","","2331.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Co N2 O9 -","- C22 H27 Co N2 O9 -","- C88 H108 Co4 N8 O36 -","4","1","","Mitra, Merry; Raghavaiah, Pallepogu; Ghosh, Rajarshi","A mononuclear cobalt(iii) complex and its catecholase activity","New J. Chem.","2015","39","1","200","","10.1039/C4NJ01587H","","","0.71073","MoKα","","0.0672","0.0556","","","0.1456","0.1542","","","","","","1.063","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054460","13.9035","0.001","13.9035","0.001","33.499","0.005","90","","90","","120","","5608","1","296","2","296","2","","","","","","","","8","P 63/m","-P 6c","176","0012ljm","","","- C6 H26 As2 N9 Na9 Ni3 O73 W18 -","- C6 H25.92 As2 N9 Na9 Ni3 O73 W18 -","- C12 H51.84 As4 N18 Na18 Ni6 O146 W36 -","2","0.166667","","Liu, Jia-min; Wang, Lu; Yu, Kai; Su, Zhan-hua; Wang, Chun-xiao; Wang, Chun-mei; Zhou, Bai-bin","Synthesis, crystal structure and properties of sandwich type compounds based on {AsW9} and a hexa-nuclear unit with three supporting TM‒triazole complexes","New J. Chem.","2015","39","2","1139","","10.1039/C4NJ01138D","","","0.71073","MoKα","","0.0759","0.0574","","","0.0928","0.1091","","","","","","1.074","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054461","13.9494","0.0008","13.9494","0.0008","33.76","0.004","90","","90","","120","","5689.1","0.8","296","2","296","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C6 H37 As2 Mn3 N9 Na9 O78.5 W18 -","- C6 H36.96 As2 Mn3 N9 Na9 O78.5 W18 -","- C12 H73.92 As4 Mn6 N18 Na18 O157 W36 -","2","0.166667","","Liu, Jia-min; Wang, Lu; Yu, Kai; Su, Zhan-hua; Wang, Chun-xiao; Wang, Chun-mei; Zhou, Bai-bin","Synthesis, crystal structure and properties of sandwich type compounds based on {AsW9} and a hexa-nuclear unit with three supporting TM‒triazole complexes","New J. Chem.","2015","39","2","1139","","10.1039/C4NJ01138D","","","0.71073","MoKα","","0.0682","0.0433","","","0.1012","0.119","","","","","","1.045","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054462","13.9307","0.0005","13.9307","0.0005","33.554","0.003","90","","90","","120","","5639.2","0.6","296","2","296","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C6 H34 As2 Co3 N9 Na9 O77 W18 -","- C6 H30.96 As2 Co3 N9 Na9 O77 W18 -","- C12 H61.92 As4 Co6 N18 Na18 O154 W36 -","2","0.166667","","Liu, Jia-min; Wang, Lu; Yu, Kai; Su, Zhan-hua; Wang, Chun-xiao; Wang, Chun-mei; Zhou, Bai-bin","Synthesis, crystal structure and properties of sandwich type compounds based on {AsW9} and a hexa-nuclear unit with three supporting TM‒triazole complexes","New J. Chem.","2015","39","2","1139","","10.1039/C4NJ01138D","","","0.71073","MoKα","","0.0686","0.0457","","","0.0932","0.1013","","","","","","1.051","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054474","6.9708","0.0014","14.408","0.002","7.8104","0.0013","90","","105.99","0.02","90","","754.1","0.2","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,4-Dicarboxamidoximyl-furoxane","3,4-Dicarboxamidoximyl-furoxane","","- C4 H6 N6 O4 -","- C4 H6 N6 O4 -","- C16 H24 N24 O16 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0602","0.0485","","","0.1211","0.1288","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054475","7.5509","0.0013","7.844","0.0015","18.562","0.003","90","","94.987","0.016","90","","1095.3","0.3","293","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bisammonium 4,5-bis(1-oxidotetrazolyl)furoxane","bisammonium 4,5-bis(1-oxidotetrazolyl)furoxane","","- C4 H8 N12 O4 -","- C4 H8 N12 O4 -","- C16 H32 N48 O16 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0575","0.0386","","","0.0908","0.1018","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054476","8.0286","0.0012","8.0668","0.0011","9.6666","0.0015","90","","90.004","0.012","90","","626.06","0.16","173","2","173","","","","","","","","","4","P 1 21 1","P 2yb","4","bishydroxyammonium 4,5-bis(1-oxidotetrazolyl)furoxane monohydrate","bishydroxyammonium 4,5-bis(1-oxidotetrazolyl)furoxane monohydrate","","- C4 H10 N12 O7 -","- C4 H10 N12 O7 -","- C8 H20 N24 O14 -","2","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0418","0.0319","","","0.057","0.0616","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054477","6.985","0.0005","8.4845","0.0005","13.8574","0.0009","90","","90","","90","","821.25","0.09","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3,4-Dichloroximidoyl-furoxane","3,4-Dichloroximidoyl-furoxane","","- C4 H2 Cl2 N4 O4 -","- C4 H2 Cl2 N4 O4 -","- C16 H8 Cl8 N16 O16 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0294","0.027","","","0.0599","0.0616","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054478","8.2678","0.0006","11.2186","0.0007","8.5693","0.0005","90","","99.912","0.006","90","","782.97","0.09","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3,4-Bis(chloroximidoyl)furazane","3,4-Bis(chloroximidoyl)furazane","","- C4 H2 Cl2 N4 O3 -","- C4 H2 Cl2 N4 O3 -","- C16 H8 Cl8 N16 O12 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0372","0.0291","","","0.067","0.0736","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054479","12.844","0.003","8.919","0.005","6.988","0.004","90","","112.147","0.005","90","","741.5","0.6","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3,4-(Dicarboxamidoxyl)furazane","3,4-(Dicarboxamidoxyl)furazane","","- C4 H6 N6 O3 -","- C4 H6 N6 O3 -","- C16 H24 N24 O12 -","4","0.5","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0517","0.0388","","","0.0955","0.1058","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054480","7.1412","0.0006","7.2056","0.0008","11.498","0.0009","89.658","0.007","73.514","0.007","64.814","0.009","508.88","0.09","100","2","100","","","","","","","","","4","P -1","-P 1","2","dipotassium bis(1-oxido-tetrazolyl)-furoxane","dipotassium bis(1-oxido-tetrazolyl)-furoxane","","- C4 K2 N10 O4 -","- C4 K2 N10 O4 -","- C8 K4 N20 O8 -","2","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0332","0.0255","","","0.0565","0.0597","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054481","14.7455","0.0008","11.7557","0.0006","10.6941","0.0006","90","","129.904","0.005","90","","1422.05","0.17","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bisguanidinium bis(1-oxido-tetrazolyl)-furoxane","bisguanidinium bis(1-oxido-tetrazolyl)-furoxane","","- C6 H12 N16 O4 -","- C6 H12 N16 O4 -","- C24 H48 N64 O16 -","4","0.5","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0468","0.0366","","","0.0815","0.0876","","","","","","1.062","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054482","7.0135","0.0007","31.347","0.002","7.9795","0.0007","90","","115.793","0.012","90","","1579.5","0.3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis-aminoguanidinium bis-(1-oxidotetrazolyl)-furoxane","bis-aminoguanidinium bis-(1-oxidotetrazolyl)-furoxane","","- C6 H14 N18 O4 -","- C6 H14 N18 O4 -","- C24 H56 N72 O16 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.052","0.0374","","","0.0799","0.0874","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054483","7.4337","0.0004","21.6146","0.0009","7.5901","0.0004","90","","97.741","0.005","90","","1208.44","0.1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dipotassium bis(1-oxidotetrazolyl)furazane dihydrate","dipotassium bis(1-oxidotetrazolyl)furazane dihydrate","","- C4 H4 K2 N10 O5 -","- C4 H4 K2 N10 O5 -","- C16 H16 K8 N40 O20 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0307","0.0254","","","0.0581","0.061","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054484","3.7659","0.0003","11.0046","0.0014","14.3912","0.0016","97.056","0.01","95.04","0.008","98.978","0.009","581.14","0.11","236","","236","","","","","","","","","4","P -1","-P 1","2","bishydrazinium bis(1-oxidotetrazolyl)-furazane","bishydrazinium bis(1-oxidotetrazolyl)-furazane","","- C4 H10 N14 O3 -","- C4 H10 N14 O3 -","- C8 H20 N28 O6 -","2","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0736","0.0446","","","0.0826","0.097","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054485","14.5573","0.0013","7.5523","0.0007","19.5093","0.0014","90","","90","","90","","2144.9","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","bisammonium 4,5-bis(1-oxido-tetrazolyl)furazane","bisammonium 4,5-bis(1-oxido-tetrazolyl)furazane","","- C4 H8 N12 O3 -","- C4 H8 N12 O3 -","- C32 H64 N96 O24 -","8","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0865","0.0465","","","0.0782","0.0959","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054486","8.3016","0.0003","12.104","0.0004","16.4292","0.0005","90","","98.436","0.003","90","","1632.99","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H11 F4 N O2 -","- C19 H11 F4 N O2 -","- C76 H44 F16 N4 O8 -","4","1","","Huo, Yanping; Lu, Jiguo; Lu, Tianhua; Fang, Xiaoming; Ouyang, Xinhua; Zhang, Li; Yuan, Guozan","Comparative studies on OLED performances of chloro and fluoro substituted Zn(ii) 8-hydroxyquinolinates","New J. Chem.","2015","39","1","333","","10.1039/C4NJ01085J","","","1.54178","CuKα","","0.0817","0.0704","","","0.2105","0.2274","","","","","","1.131","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054487","6.9516","0.0003","8.1294","0.0003","9.6234","0.0004","74.586","0.004","80.157","0.004","83.657","0.003","515.35","0.04","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 N2 O3 -","- C9 H16 N2 O3 -","- C18 H32 N4 O6 -","2","1","","Maton, C.; Van Hecke, K.; Stevens, C. V.","Peralkylated imidazolium carbonate ionic liquids: synthesis using dimethyl carbonate, reactivity and structure","New J. Chem.","2015","39","1","461","","10.1039/C4NJ01301H","","","1.5418","CuKα","","0.042","0.0387","","","0.1094","0.1125","","","","","","1.089","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054488","6.77997","0.00017","14.4971","0.0004","9.8785","0.0003","90","","100.572","0.003","90","","954.47","0.05","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Cl N2 -","- C8 H15 Cl N2 -","- C32 H60 Cl4 N8 -","4","1","","Maton, C.; Van Hecke, K.; Stevens, C. V.","Peralkylated imidazolium carbonate ionic liquids: synthesis using dimethyl carbonate, reactivity and structure","New J. Chem.","2015","39","1","461","","10.1039/C4NJ01301H","","","1.5418","CuKα","","0.0413","0.0366","","","0.1014","0.1064","","","","","","1.068","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054489","19.8873","0.0006","19.8873","0.0006","14.4048","0.0004","90","","90","","120","","4933.9","0.3","100","2","100","2","","","","","","","","4","R -3","-R 3","148","","","","- C9 H17 Cl N2 -","- C9 H17 Cl N2 -","- C162 H306 Cl18 N36 -","18","","","Maton, C.; Van Hecke, K.; Stevens, C. V.","Peralkylated imidazolium carbonate ionic liquids: synthesis using dimethyl carbonate, reactivity and structure","New J. Chem.","2015","39","1","461","","10.1039/C4NJ01301H","","","1.5418","CuKα","","0.0522","0.0399","","","0.0934","0.0981","","","","","","1.031","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054490","12.3316","0.0007","21.3475","0.0011","8.8212","0.0005","90","","92.34","0.003","90","","2320.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N2 O -","- C32 H22 N2 O -","- C128 H88 N8 O4 -","4","1","","Jayabharathi, Jayaraman; Ramanathan, Periyasamy; Thanikachalam, Venugopal","Synthesis and optical properties of phenanthromidazole derivatives for organic electroluminescent devices","New J. Chem.","2015","39","1","142","","10.1039/C4NJ01515K","","","0.71073","MoKα","","0.1092","0.0528","","","0.1186","0.1422","","","","","","1.024","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054491","9.575","0.009","20.505","0.017","15.88","0.015","90","","105.413","0.011","90","","3006","5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-phenyl-1-H-1,2,3-triazol-1-yl) phenol complex with Tetra-n-butylammonium fluoride","","- C30 H47 F N4 O -","- C30 H47 F N4 O -","- C120 H188 F4 N16 O4 -","4","1","","Ghosh, Debanjana; Rhodes, Shannon; Hawkins, Karena; Winder, Domonique; Atkinson, Austin; Ming, Weihua; Padgett, Clifford; Orvis, Jeffrey; Aiken, Karelle; Landge, Shainaz","A simple and effective 1,2,3-triazole based “turn-on” fluorescence sensor for the detection of anions","New J. Chem.","2015","39","1","295","","10.1039/C4NJ01411A","","","0.71075","MoKα","","","0.0642","","","","0.2037","","","","","","1.066","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054492","16.2354","0.0008","19.1181","0.001","8.2268","0.0004","90","","90","","90","","2553.5","0.2","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C12 H14 O5 Pb -","- C12 H14 O5 Pb -","- C96 H112 O40 Pb8 -","8","1","","Bo, Qi-Bing; Pang, Juan-Juan; Wang, Hong-Yan; Fan, Chun-Hua; Zhang, Zhen-Wei","In situ solvent and counteranion-induced synthesis, structural characterization and photoluminescence properties of Pb-based MOFs","New J. Chem.","2015","39","1","431","","10.1039/C4NJ01506A","","","0.71073","MoKα","","0.0557","0.0326","","","0.0678","0.0798","","","","","","1.025","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054493","18.7933","0.0009","17.7755","0.0006","8.2471","0.0003","90","","99.723","0.004","90","","2715.45","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O9 Pb3 -","- C24 H24 O9 Pb3 -","- C96 H96 O36 Pb12 -","4","1","","Bo, Qi-Bing; Pang, Juan-Juan; Wang, Hong-Yan; Fan, Chun-Hua; Zhang, Zhen-Wei","In situ solvent and counteranion-induced synthesis, structural characterization and photoluminescence properties of Pb-based MOFs","New J. Chem.","2015","39","1","431","","10.1039/C4NJ01506A","","","0.71073","MoKα","","0.0975","0.0599","","","0.1319","0.1551","","","","","","1.029","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054494","18.4043","0.0005","30.9956","0.0009","6.9963","0.0002","90","","90","","90","","3991.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H36 O13 Pb4 -","- C36 H36 O13 Pb4 -","- C144 H144 O52 Pb16 -","4","1","","Bo, Qi-Bing; Pang, Juan-Juan; Wang, Hong-Yan; Fan, Chun-Hua; Zhang, Zhen-Wei","In situ solvent and counteranion-induced synthesis, structural characterization and photoluminescence properties of Pb-based MOFs","New J. Chem.","2015","39","1","431","","10.1039/C4NJ01506A","","","0.71073","MoKα","","0.041","0.0354","","","0.0749","0.0778","","","","","","1.055","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054495","10.594","0.0005","14.2967","0.0007","14.5177","0.0008","84.866","0.001","68.83","0.001","77.339","0.001","2000.46","0.18","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Fe N8 O2 Se2 -","- C40 H44 Fe N8 O2 Se2 -","- C80 H88 Fe2 N16 O4 Se4 -","2","1","","Nguyen, Luong Lam; Guillot, Régis; Laisney, Jérôme; Rechignat, Lionel; Bedoui, Salma; Molnár, Gabor; Rivière, Eric; Boillot, Marie-Laure","Fe(Me2-bpy)2(NCSe)2spin-crossover micro- and nanoparticles showing spin-state switching above 250 K","New J. Chem.","2015","39","3","1603","","10.1039/C4NJ01257G","","x-ray","0.71073","MoKα","","0.0978","0.0632","","","0.1633","0.1832","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054496","12.203","0.001","19.513","0.002","15.887","0.001","90","","90.858","0.002","90","","3782.5","0.6","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Fe N8 O3 Se2 -","- C38 H36 Fe N8 O3 Se2 -","- C152 H144 Fe4 N32 O12 Se8 -","4","1","","Nguyen, Luong Lam; Guillot, Régis; Laisney, Jérôme; Rechignat, Lionel; Bedoui, Salma; Molnár, Gabor; Rivière, Eric; Boillot, Marie-Laure","Fe(Me2-bpy)2(NCSe)2spin-crossover micro- and nanoparticles showing spin-state switching above 250 K","New J. Chem.","2015","39","3","1603","","10.1039/C4NJ01257G","","x-ray","0.71069","MoKα","","0.0845","0.0464","","","0.1128","0.129","","","","","","1.038","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054497","12.3157","0.0012","19.6569","0.0019","22.945","0.002","90","","90","","90","","5554.7","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H41 Au N P S2 -","- C27 H41 Au N P S2 -","- C216 H328 Au8 N8 P8 S16 -","8","1","","Altaf, Muhammad; Monim-ul-Mehboob, M.; Isab, Anvarhusein A.; Dhuna, Vikram; Bhatia, Gaurav; Dhuna, Kshitija; Altuwaijri, Saleh","The synthesis, spectroscopic characterization and anticancer activity of new mono and binuclear phosphanegold(i) dithiocarbamate complexes","New J. Chem.","2015","39","1","377","","10.1039/C4NJ00747F","","","0.71073","MoKα","","0.0541","0.0277","","","0.0587","0.0623","","","","","","0.793","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054498","28.3533","0.0011","28.3533","0.0011","15.9781","0.0007","90","","90","","120","","11124.1","0.8","115","","115","","","","","","","","","4","R -3","-R 3","148","","","","- C29.33 H26 N3 O6.17 -","- C29.3333 H25.1667 N3 O6.1667 -","- C528 H453.001 N54 O111.001 -","18","","","Haddad, Saoussen; Boudriga, Sarra; Akhaja, Tarunkumar Nanjibhai; Raval, Jignesh Priyakant; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Rajani, Dhanji","A strategic approach to the synthesis of functionalized spirooxindole pyrrolidine derivatives: in vitro antibacterial, antifungal, antimalarial and antitubercular studies","New J. Chem.","2015","39","1","520","","10.1039/C4NJ01008F","","x-ray","0.71073","MoKα","","0.0445","0.0383","","","0.1005","0.1046","","","","","","1.036","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054499","8.1001","0.0007","9.6437","0.0008","13.9228","0.0012","87.481","0.001","77.694","0.002","77.279","0.001","1036.5","0.15","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 F I3 N3 O3 -","- C17 H19 F I3 N3 O3 -","- C34 H38 F2 I6 N6 O6 -","2","1","","Zou, Wen-Sheng; Lin, Sen; Li, Jia-Yuan; Wei, Hong-Qing; Zhang, Xiao-Qin; Shen, Dong-Xu; Qiao, Jun-Qin; Lian, Hong-Zhen; Xie, Dai-Qian; Ge, Xin","Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution","New J. Chem.","2015","39","1","262","","10.1039/C4NJ01396D","","","0.71073","MoKα","","0.0866","0.0559","","","0.1106","0.1159","","","","","","1.044","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054500","19.0809","0.0007","11.3904","0.0004","23.6108","0.0004","90","","107.42","0.002","90","","4896.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(isothiocyanato)-(N,N'-bis(3-methoxy-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C24 H29 Fe N4 O4 S -","- C24 H29 Fe N4 O4 S -","- C192 H232 Fe8 N32 O32 S8 -","8","2","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.0478","0.0322","","","0.0699","0.0764","","","","","","1.029","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054501","19.165","0.003","11.6749","0.0016","22.449","0.003","90","","107.772","0.003","90","","4783.2","1.2","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(isothiocyanato)-(N,N'-bis(3-methoxy-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C24 H29 Fe N4 O4 S -","- C24 H29 Fe N4 O4 S -","- C192 H232 Fe8 N32 O32 S8 -","8","2","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.38745","Synchrotron","","0.0577","0.0352","","","0.0698","0.0781","","","","","","1.001","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054502","19.334","0.0007","11.456","0.0003","23.831","0.0009","90","","107.131","0.004","90","","5044.2","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(isothiocyanato)-(N,N'-bis(3-methoxy-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C24 H29 Fe N4 O4 S -","- C24 H29 Fe N4 O4 S -","- C192 H232 Fe8 N32 O32 S8 -","8","2","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.1083","0.0571","","","0.0933","0.109","","","","","","1.046","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054503","7.5011","0.0006","13.0676","0.001","24.704","0.003","90","","90","","90","","2421.5","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(isothiocyanato)-(N,N'-bis((2-oxido-1-naphthyl)methylene)-1,6-diamino-4-azahexane)-iron(iii)","","- C28 H25 Fe N4 O2 S -","- C28 H25 Fe N4 O2 S -","- C112 H100 Fe4 N16 O8 S4 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.079","0.0498","","","0.0857","0.0919","","","","","","0.935","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054504","7.5422","0.0003","13.5725","0.0005","24.6626","0.0009","90","","90","","90","","2524.62","0.16","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(isothiocyanato)-(N,N'-bis((2-oxido-1-naphthyl)methylene)-1,6-diamino-4-azahexane)-iron(iii)","","- C28 H25 Fe N4 O2 S -","- C28 H25 Fe N4 O2 S -","- C112 H100 Fe4 N16 O8 S4 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.0498","0.033","","","0.0578","0.0606","","","","","","0.897","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054505","15.903","0.0005","14.218","0.0005","19.6342","0.0005","90","","90","","90","","4439.5","0.2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(isothiocyanato)-(N,N'-bis(5-nitro-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C20 H19 Fe N6 O6 S -","- C20 H19 Fe N6 O6 S -","- C160 H152 Fe8 N48 O48 S8 -","8","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.0533","0.0383","","","0.091","0.0943","","","","","","1.052","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054506","11.0321","0.0009","11.3322","0.0009","18.9441","0.0015","90","","96.974","0.003","90","","2350.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(azido)-(N,N'-bis(3-ethoxy-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C23 H29 Fe N6 O4 -","- C23 H29 Fe N6 O4 -","- C92 H116 Fe4 N24 O16 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","x-ray","0.71073","MoKα","","0.0281","0.0249","","","0.0656","0.0679","","","","","","1.061","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054507","18.2879","0.0007","11.8974","0.0004","17.3763","0.0007","90","","96.903","0.004","90","","3753.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(isothiocyanato)-(N,N'-bis(3,5-di(terc-buthyl)-2-oxido-benzylidene)-1,6-diamino-4-azahexane)-iron(iii)","","- C36 H53 Fe N4 O2 S -","- C36 H53 Fe N4 O2 S -","- C144 H212 Fe4 N16 O8 S4 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.0671","0.0393","","","0.0884","0.094","","","","","","0.889","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054508","11.5785","0.0006","11.6541","0.0005","18.2132","0.0008","90","","106.508","0.002","90","","2356.33","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(isothiocyanato)-(N,N'-bis(3-ethoxy-2-oxido-benzylidene)-1,5-diamino-4-azapentene)-iron(iii)","","- C23 H27 Fe N4 O4 S -","- C23 H27 Fe N4 O4 S -","- C92 H108 Fe4 N16 O16 S4 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","x-ray","0.71073","MoKα","","0.0421","0.0318","","","0.0779","0.0834","","","","","","1.041","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054509","7.927","0.001","10.615","0.0011","12.92","0.002","78.84","0.01","74.08","0.02","70.62","0.01","979.9","0.2","295","3","295","3","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 Cl2 N5 Zn -","- C18 H21 Cl2 N5 Zn -","- C36 H42 Cl4 N10 Zn2 -","2","1","","Štefane, Bogdan; Perdih, Franc; Višnjevac, Aleksandar; Požgan, Franc","Novel triazole-based ligands and their zinc(ii) and nickel(ii) complexes with a nitrogen donor environment as potential structural models for mononuclear active sites","New J. Chem.","2015","39","1","566","","10.1039/C4NJ01642D","","","0.71073","MoKα","","0.1878","0.0989","","","","0.3482","","","","","","1.012","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054510","8.8955","0.0009","14.5691","0.0011","21.5718","0.0019","90","","91.451","0.008","90","","2794.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 N6 Zn -","- C28 H26 Cl2 N6 Zn -","- C112 H104 Cl8 N24 Zn4 -","4","1","","Štefane, Bogdan; Perdih, Franc; Višnjevac, Aleksandar; Požgan, Franc","Novel triazole-based ligands and their zinc(ii) and nickel(ii) complexes with a nitrogen donor environment as potential structural models for mononuclear active sites","New J. Chem.","2015","39","1","566","","10.1039/C4NJ01642D","","","0.71073","MoKα","","0.1035","0.0595","","","0.1418","0.1641","","","","","","1.071","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054511","6.4217","0.0001","11.6331","0.0002","34.4621","0.0008","89.715","0.002","85.211","0.002","82.58","0.002","2543.95","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cl2 N5 Ni O2 -","- C24 H29 Cl2 N5 Ni O2 -","- C96 H116 Cl8 N20 Ni4 O8 -","4","2","","Štefane, Bogdan; Perdih, Franc; Višnjevac, Aleksandar; Požgan, Franc","Novel triazole-based ligands and their zinc(ii) and nickel(ii) complexes with a nitrogen donor environment as potential structural models for mononuclear active sites","New J. Chem.","2015","39","1","566","","10.1039/C4NJ01642D","","","0.71073","MoKα","","0.0399","0.0348","","","0.0764","0.0793","","","","","","1.11","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054512","26.919","0.005","8.723","0.0017","22.424","0.005","90","","107.99","0.03","90","","5008.1","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 Cu N3 O4 S -","- C27 H23 Cu N3 O4 S -","- C216 H184 Cu8 N24 O32 S8 -","8","1","","Li, Jun-Ling; Jiang, Lin; Wang, Bi-Wei; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping","Significant differences in the biological activity of mononuclear Cu(ii) and Ni(ii) complexes with the polyquinolinyl ligand","New J. Chem.","2015","39","1","529","","10.1039/C4NJ00876F","","","0.71073","MoKα","","0.0869","0.0567","","","0.115","0.1274","","","","","","0.922","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054513","14.759","0.003","13.805","0.003","14.772","0.003","90","","96.14","0.03","90","","2992.5","1.1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 N3 Ni O7 S -","- C29 H33 N3 Ni O7 S -","- C116 H132 N12 Ni4 O28 S4 -","4","1","","Li, Jun-Ling; Jiang, Lin; Wang, Bi-Wei; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping","Significant differences in the biological activity of mononuclear Cu(ii) and Ni(ii) complexes with the polyquinolinyl ligand","New J. Chem.","2015","39","1","529","","10.1039/C4NJ00876F","","","0.71073","MoKα","","0.0496","0.0448","","","0.1036","0.1066","","","","","","1.039","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054514","15.6778","0.001","3.9598","0.0003","17.4076","0.0014","90","","108.928","0.008","90","","1022.24","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","m-MPCPA","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Song, Qingbao; Wang, Yongsheng; Hu, Chenchen; Zhang, Yujian; Sun, Jingwei; Wang, Kunyan; Zhang, Cheng","Effect of stacking mode on the mechanofluorochromic properties of 3-aryl-2-cyano acrylamide derivatives","New J. Chem.","2015","39","1","659","","10.1039/C4NJ01492H","","","0.71073","MoKα","","0.0544","0.043","","","0.1079","0.1138","","","","","","1.169","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054515","13.7381","0.0009","8.877","0.0004","17.564","0.0009","90","","103.368","0.006","90","","2083.9","0.2","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","o-MPCPA","2-cyano-3-(2-methoxyphenyl)-2-propenamide","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","1","","Song, Qingbao; Wang, Yongsheng; Hu, Chenchen; Zhang, Yujian; Sun, Jingwei; Wang, Kunyan; Zhang, Cheng","Effect of stacking mode on the mechanofluorochromic properties of 3-aryl-2-cyano acrylamide derivatives","New J. Chem.","2015","39","1","659","","10.1039/C4NJ01492H","","","0.71073","MoKα","","0.0672","0.0448","","","0.1034","0.1153","","","","","","1.061","","","","has coordinates","204135","2020-10-21","18:00:00",""
"7054516","3.92","0.002","10.792","0.006","23.124","0.012","90","","93.463","0.008","90","","976.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","p-MPCPA","2-cyano-3-(4-methoxyphenyl)-2-propenamide","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Song, Qingbao; Wang, Yongsheng; Hu, Chenchen; Zhang, Yujian; Sun, Jingwei; Wang, Kunyan; Zhang, Cheng","Effect of stacking mode on the mechanofluorochromic properties of 3-aryl-2-cyano acrylamide derivatives","New J. Chem.","2015","39","1","659","","10.1039/C4NJ01492H","","","0.71073","MoKα","","0.1143","0.0824","","","0.2333","0.2367","","","","","","1.035","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054517","13.8001","0.001","14.107","0.0008","14.966","0.001","90","","93.4","0.005","90","","2908.4","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N6 O Ti2 -","- C32 H28 N6 O Ti2 -","- C128 H112 N24 O4 Ti8 -","4","1","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.096","0.0549","","","0.0985","0.1177","","","","","","1.161","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054518","9.842","0.0005","19.9841","0.0014","15.283","0.0013","90","","99.947","0.007","90","","2960.7","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O3 S2 Ti2 -","- C30 H36 N2 O3 S2 Ti2 -","- C120 H144 N8 O12 S8 Ti8 -","4","1","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.0806","0.0496","","","0.0881","0.104","","","","","","1.172","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054519","14.5932","0.0012","14.925","0.0011","15.54","0.0008","74.368","0.007","83.551","0.007","61.471","0.006","2863.2","0.4","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H78 N3 Si6 Ti3 -","- C51 H78 N3 Si6 Ti3 -","- C102 H156 N6 Si12 Ti6 -","2","1","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.0475","0.0324","","","0.0701","0.0815","","","","","","1.129","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054520","7.598","0.0004","11.523","0.0006","25.0561","0.0017","77.795","0.005","89.851","0.006","84.089","0.005","2132.3","0.2","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 N6 Si4 Ti2 -","- C36 H52 N6 Si4 Ti2 -","- C72 H104 N12 Si8 Ti4 -","2","1","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.0956","0.0552","","","0.0973","0.115","","","","","","1.121","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054521","11.475","0.0006","11.6289","0.001","18.8461","0.0013","92.434","0.007","99.597","0.005","96.7","0.005","2457.8","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H60 N6 Si4 Ti2 -","- C47 H60 N6 Si4 Ti2 -","- C94 H120 N12 Si8 Ti4 -","2","1","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.0702","0.045","","","0.091","0.1055","","","","","","1.11","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054522","8.828","0.0004","9.427","0.0008","12.2471","0.0014","71.689","0.006","78.624","0.006","89.462","0.005","947.09","0.15","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H52 Cl2 Si4 Ti2 -","- C32 H52 Cl2 Si4 Ti2 -","- C32 H52 Cl2 Si4 Ti2 -","1","0.5","","Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan","Titanocene(iii) pseudohalides: an ESR and structural study","New J. Chem.","2015","39","1","576","","10.1039/C4NJ01404A","","","0.71073","MoKα","","0.0893","0.0677","","","0.1675","0.1924","","","","","","1.061","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054523","9.616","0.006","12.119","0.007","12.594","0.007","90.497","0.01","98.27","0.01","113.05","0.009","1333","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 N8 O11 V2 -","- C21 H30 N8 O11 V2 -","- C42 H60 N16 O22 V4 -","2","1","","Ma, Xi Tong; Xing, Na; Yan, Zhi Dan; Zhang, Xiao Xi; Wu, Qiong; Xing, Yong Heng","Peroxo- and oxovanadium(iv) complexes with tridentate N-heterocycle ligands: synthesis, structure, and catalytic performance","New J. Chem.","2015","39","2","1067","","10.1039/C4NJ01525H","","","0.71073","MoKα","","0.0644","0.0482","","","0.1295","0.1367","","","","","","1.078","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054524","9.9813","0.0013","12.3482","0.0015","13.298","0.0017","103.22","0.002","93.546","0.002","100.63","0.002","1558.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H32 N8 O12 S V -","- C23 H32 N8 O12 S V -","- C46 H64 N16 O24 S2 V2 -","2","1","","Ma, Xi Tong; Xing, Na; Yan, Zhi Dan; Zhang, Xiao Xi; Wu, Qiong; Xing, Yong Heng","Peroxo- and oxovanadium(iv) complexes with tridentate N-heterocycle ligands: synthesis, structure, and catalytic performance","New J. Chem.","2015","39","2","1067","","10.1039/C4NJ01525H","","","0.71073","MoKα","","0.074","0.0443","","","0.0998","0.1089","","","","","","0.986","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054525","21.563","0.004","21.563","0.004","24.14","0.008","90","","90","","120","","9720","4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H18 N3 O5.5 V -","- C22 H18 N3 O5.5 V -","- C396 H324 N54 O99 V18 -","18","1","","Ma, Xi Tong; Xing, Na; Yan, Zhi Dan; Zhang, Xiao Xi; Wu, Qiong; Xing, Yong Heng","Peroxo- and oxovanadium(iv) complexes with tridentate N-heterocycle ligands: synthesis, structure, and catalytic performance","New J. Chem.","2015","39","2","1067","","10.1039/C4NJ01525H","","","0.71073","MoKα","","0.0874","0.0632","","","0.172","0.2031","","","","","","1.043","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054526","11.1223","0.0004","13.6579","0.0006","16.7386","0.0007","67.229","0.003","81.64","0.002","71.075","0.002","2217.22","0.17","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","[Pt(p-SC6F4CF3)(triphos)][OTf]","Platinum-triphos-SC7F7 Triflate","","- C42 H33 F10 O3 P3 Pt S2 -","- C42 H33 F10 O3 P3 Pt S2 -","- C84 H66 F20 O6 P6 Pt2 S4 -","2","1","","Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo","cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate)","New J. Chem.","2015","39","1","631","","10.1039/C4NJ01686F","","x-ray","0.71073","MoKα","","0.1128","0.0866","","","0.2318","0.2972","","","","","","1.335","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054527","10.2751","0.0003","19.9018","0.0007","19.3686","0.0008","90","","93.744","0.001","90","","3952.3","0.2","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","[Pt(SC6H5)(triphos)][OTf]","Platinum-triphos-SC6H5 Triflate","","- C41 H38 F3 O3 P3 Pt S2 -","- C41 H38 F3 O3 P3 Pt S2 -","- C164 H152 F12 O12 P12 Pt4 S8 -","4","1","","Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo","cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate)","New J. Chem.","2015","39","1","631","","10.1039/C4NJ01686F","","","0.71073","MoKα","","0.1106","0.066","","","0.1774","0.2267","","","","","","1.066","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054528","10.188","0.002","19.711","0.004","21.039","0.004","90","","96.02","0.03","90","","4201.7","1.4","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","[Pt(SC6F4H)(triphos)][OTf]","Platinum-triphos-SC6F4H Triflate","","- C41 H34 F7 O3 P3 Pt S2 -","- C41 H34 F7 O3 P3 Pt S2 -","- C164 H136 F28 O12 P12 Pt4 S8 -","4","1","","Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo","cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate)","New J. Chem.","2015","39","1","631","","10.1039/C4NJ01686F","","","0.71073","MoKα","","0.1537","0.0724","","","0.1729","0.2359","","","","","","1.037","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054529","8.0665","0.0008","8.3119","0.0008","13.9189","0.0014","90.693","0.003","104.018","0.003","118.084","0.003","790.11","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N12 O8 -","- C9 H8 N12 O8 -","- C18 H16 N24 O16 -","2","1","","Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of a new family of energetic salts based on a guanidinium cation containing a picryl moiety","New J. Chem.","2015","39","2","893","","10.1039/C4NJ01849D","","","0.71073","MoKα","","0.108","0.0451","","","0.0698","0.0795","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054530","17.582","0.001","10.4936","0.0006","15.8405","0.001","90","","111.304","0.002","90","","2722.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N8 O9 -","- C8 H8 N8 O9 -","- C64 H64 N64 O72 -","8","2","","Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of a new family of energetic salts based on a guanidinium cation containing a picryl moiety","New J. Chem.","2015","39","2","893","","10.1039/C4NJ01849D","","","0.71073","MoKα","","0.1073","0.0478","","","0.0932","0.1143","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054531","20.6963","0.0008","4.89894","0.00019","16.9658","0.0007","90","","97.371","0.004","90","","1705.95","0.12","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N2 O S -","- C16 H28 N2 O S -","- C64 H112 N8 O4 S4 -","4","1","","Yadav, Priyanka; Ballabh, Amar","Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications","New J. Chem.","2015","39","1","721","","10.1039/C4NJ01247J","","","0.71073","MoKα","","0.0541","0.0445","","","0.1231","0.1339","","","","","","1.067","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054532","23.237","0.002","4.9497","0.0003","15.6429","0.0012","90","","90.966","0.008","90","","1798.9","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N2 O S -","- C17 H30 N2 O S -","- C68 H120 N8 O4 S4 -","4","1","","Yadav, Priyanka; Ballabh, Amar","Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications","New J. Chem.","2015","39","1","721","","10.1039/C4NJ01247J","","","1.54184","CuKα","","0.1948","0.1155","","","0.2385","0.2629","","","","","","1.135","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054533","22.1166","0.0002","19.4545","0.0002","9.42062","0.00013","90","","101.186","0.0013","90","","3976.38","0.08","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N2 O S -","- C18 H32 N2 O S -","- C144 H256 N16 O8 S8 -","8","2","","Yadav, Priyanka; Ballabh, Amar","Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications","New J. Chem.","2015","39","1","721","","10.1039/C4NJ01247J","","","1.54184","CuKα","","0.0605","0.0493","","","0.1351","0.1468","","","","","","1.032","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054534","4.9139","0.0003","8.2041","0.0005","23.1603","0.001","84.043","0.004","87.033","0.004","78.743","0.005","910.3","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 N2 O S -","- C17 H30 N2 O S -","- C34 H60 N4 O2 S2 -","2","1","","Yadav, Priyanka; Ballabh, Amar","Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications","New J. Chem.","2015","39","1","721","","10.1039/C4NJ01247J","","","1.54184","CuKα","","0.0641","0.0549","","","0.1482","0.1599","","","","","","1.044","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054535","10.036","0.002","11.838","0.002","15.884","0.003","79.36","0.03","78.98","0.03","74.71","0.03","1768.7","0.6","12","","12","","","","","","","","","4","P 1","P 1","1","loxistatinic acid (E64c)","[(+)-(2S,3S)-3-(1-[N-(3-methylbutyl)amino]-leucylcarbonyl) oxirane-2-carboxylic acid]","","- C15 H26 N2 O5 -","- C15 H26 N2 O5 -","- C60 H104 N8 O20 -","4","4","","Shi, Ming W.; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Schmidt, Thomas C.; Luger, Peter; Mebs, Stefan; Dittrich, Birger; Chen, Yu-Sheng; Bąk, Joanna M.; Jayatilaka, Dylan; Bond, Charles S.; Turner, Michael J.; Stewart, Scott G.; Spackman, Mark A.; Grabowsky, Simon","Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c)","New J. Chem.","2015","39","3","1628","","10.1039/C4NJ01503G","","","0.3936","synchrotron","","0.1179","0.1099","","","0.2679","0.2735","","","","","","1.102","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054536","29.7753","0.0009","4.8973","0.0002","13.9889","0.0004","90","","103.74","0.001","90","","1981.47","0.12","293","2","293","2","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","N,N-Bis(3,4,5-trimethoxybenzylidene)hydrazine","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","0.5","","Parveen, Mehtab; Azaz, Shaista; Malla, Ali Mohammed; Ahmad, Faheem; Pereira da Silva, Pedro Sidonio; Ramos Silva, Manuela","Solvent-free, [Et3NH][HSO4] catalyzed facile synthesis of hydrazone derivatives","New J. Chem.","2015","39","1","469","","10.1039/C4NJ01666A","","","0.71073","MoKα","","0.0489","0.0396","","","0.1091","0.1214","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054537","10.13","0.003","10.886","0.003","11.806","0.003","95.962","0.004","105.519","0.003","93.803","0.003","1241.6","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H8 Br N O9 Ru3 -","- C23 H8 Br N O9 Ru3 -","- C46 H16 Br2 N2 O18 Ru6 -","2","1","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.0446","0.0368","","","0.0932","0.0967","","","","","","0.986","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054538","24.724","0.008","10.628","0.004","23.593","0.008","90","","115.263","0.004","90","","5607","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H17 Br N2 O4 Ru2 -","- C32 H17 Br N2 O4 Ru2 -","- C256 H136 Br8 N16 O32 Ru16 -","8","1","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.058","0.0417","","","0.1015","0.1106","","","","","","0.992","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054539","23.277","0.016","6.251","0.004","14.611","0.011","90","","92.423","0.012","90","","2124","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Br2 N2 -","- C28 H16 Br2 N2 -","- C112 H64 Br8 N8 -","4","0.5","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.0811","0.0403","","","0.0561","0.061","","","","","","0.969","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054540","7.181","0.0006","9.6498","0.0008","16.7441","0.0015","95.889","0.001","98.26","0.001","104.031","0.002","1102.52","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H8 Br N O7 Ru3 -","- C21 H8 Br N O7 Ru3 -","- C42 H16 Br2 N2 O14 Ru6 -","2","1","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.0572","0.0356","","","0.0757","0.0871","","","","","","1.046","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054541","9.241","0.006","13.168","0.009","8.138","0.006","90","","112.245","0.009","90","","916.6","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 O4 Ru2 -","- C22 H14 O4 Ru2 -","- C44 H28 O8 Ru4 -","2","0.5","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.0342","0.0327","","","0.0842","0.0855","","","","","","1.175","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054542","13.5255","0.0013","12.8602","0.0009","15.6149","0.0014","90","","114.691","0.002","90","","2467.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 Br N O5 Ru2 -","- C27 H16 Br N O5 Ru2 -","- C108 H64 Br4 N4 O20 Ru8 -","4","1","","Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin","Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene","New J. Chem.","2015","39","2","1075","","10.1039/C4NJ01382D","","","0.71073","MoKα","","0.0687","0.0443","","","0.1113","0.128","","","","","","1.035","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054543","46.333","0.003","17.299","0.001","32.343","0.002","90","","123.542","0.001","90","","21607","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H59.33 Eu2 N12 O11.67 -","- C69 H51 Eu2 N12 O11.6667 -","- C828 H612 Eu24 N144 O140 -","12","1.5","","Das, Kuheli; Nandi, Soumendra; Mondal, Sudipa; Askun, Tulin; Cantürk, Zerrin; Celikboyun, Pinar; Massera, Chiara; Garribba, Eugenio; Datta, Amitabha; Sinha, Chittaranjan; Akitsu, Takashiro","Triply phenoxo bridged Eu(iii) and Sm(iii) complexes with 2,6-diformyl-4-methylphenol-di(benzoylhydrazone): structure, spectra and biological study in human cell lines","New J. Chem.","2015","39","2","1101","","10.1039/C4NJ01464B","","","0.71069","MoKα","","0.0977","0.0525","","","0.1378","0.1633","","","","","","1.019","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054544","12.6452","0.0006","15.0817","0.0007","20.7038","0.0009","101.662","0.001","97.13","0.001","106.03","0.001","3648","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H104 Li N8 Nd O3 -","- C80 H104 Li N8 Nd O3 -","- C160 H208 Li2 N16 Nd2 O6 -","2","1","","Yakovenko, Marina V.; Udilova, Natalia Yu.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido rare-earth complexes supported by an ansa bis(amidinate) ligand with a rigid 1,8-naphthalene linker: synthesis, structures and catalytic activity in rac-lactide polymerization and hydrophosphonylation of carbonyl compounds","New J. Chem.","2015","39","2","1083","","10.1039/C4NJ01698J","","","0.71073","MoKα","","0.0507","0.0405","","","0.1023","0.1071","","","","","","1.057","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054545","23.9499","0.0016","19.4258","0.0013","21.8709","0.0014","90","","116.878","0.001","90","","9076.1","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H68 N5 Nd O Si2 -","- C46 H68 N5 Nd O Si2 -","- C368 H544 N40 Nd8 O8 Si16 -","8","2","","Yakovenko, Marina V.; Udilova, Natalia Yu.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Amido rare-earth complexes supported by an ansa bis(amidinate) ligand with a rigid 1,8-naphthalene linker: synthesis, structures and catalytic activity in rac-lactide polymerization and hydrophosphonylation of carbonyl compounds","New J. Chem.","2015","39","2","1083","","10.1039/C4NJ01698J","","","0.71073","MoKα","","0.0858","0.077","","","0.1598","0.1628","","","","","","1.154","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054546","13.0391","0.0005","6.8246","0.0003","15.9891","0.001","90","","92.828","0.005","90","","1421.08","0.12","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H28 Br2 F8 N4 -","- C26 H28 Br2 F8 N4 -","- C52 H56 Br4 F16 N8 -","2","0.5","","Yi, Hai; Albrecht, Markus; Valkonen, Arto; Rissanen, Kari","Perfluoro-1,1′-biphenyl and perfluoronaphthalene and their derivatives as π-acceptors for anions","New J. Chem.","2015","39","1","746","","10.1039/C4NJ01654H","","","0.71073","MoKα","","0.0461","0.0382","","","0.0967","0.1038","","","","","","1.052","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054547","13.647","0.0003","12.4533","0.0002","22.0643","0.0004","90","","90","","90","","3749.83","0.12","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Br F7 N2 O -","- C18 H18 Br F7 N2 O -","- C144 H144 Br8 F56 N16 O8 -","8","1","","Yi, Hai; Albrecht, Markus; Valkonen, Arto; Rissanen, Kari","Perfluoro-1,1′-biphenyl and perfluoronaphthalene and their derivatives as π-acceptors for anions","New J. Chem.","2015","39","1","746","","10.1039/C4NJ01654H","","","0.71073","MoKα","","0.0745","0.047","","","0.109","0.1189","","","","","","1.037","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054548","7.32285","0.00013","13.0124","0.0002","26.9145","0.0005","90","","90","","90","","2564.62","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N3-{[(o-carboran-1-yl)propyl]-1N-1,2,3-triazol-4-yl}methylenethymidine","","- C18 H33 B10 N5 O5 -","- C18 H33 B10 N5 O5 -","- C72 H132 B40 N20 O20 -","4","1","","Matuszewski, Michał; Kiliszek, Agnieszka; Rypniewski, Wojciech; Lesnikowski, Zbigniew J.; Olejniczak, Agnieszka B.","Nucleoside bearing boron clusters and their phosphoramidites ‒ building blocks for modified oligonucleotide synthesis","New J. Chem.","2015","39","2","1202","","10.1039/C4NJ01096E","","","1.54184","CuKα","","0.039","0.0351","","","0.0933","0.0946","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7054549","12.6104","0.0002","10.35013","0.00019","37.1231","0.0008","90","","90","","90","","4845.28","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H16.86 Fe2 N12 O8.43 S5 -","- C4 H16 Fe2 N12 O8.43 S5 -","- C32 H128 Fe16 N96 O67.44 S40 -","8","1","","Sanina, Nataliya A.; Aldoshin, Sergey M.; Shmatko, Natal'ya Yu.; Korchagin, Denis V.; Shilov, Gennadii V.; Knyazkina, Ekaterine V.; Ovanesyan, Nikolay S.; Kulikov, Alexander V.","Nitrosyl iron complexes with enhanced NO donating ability: synthesis, structure and properties of a new type of salt with the DNIC cations [Fe(SC(NH2)2)2(NO)2]+","New J. Chem.","2015","39","2","1022","","10.1039/C4NJ01693A","","","0.7107","MoKα","","0.0725","0.0583","","","0.0908","0.0945","","","","","","1.245","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054550","6.2712","0.0003","10.4132","0.0005","12.1912","0.0005","86.462","0.004","88.363","0.004","87.613","0.004","793.65","0.06","99.9","0.2","99.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H16 Fe4 N16 O14 S8 -","- C4 H16 Fe4 N16 O14 S8 -","- C4 H16 Fe4 N16 O14 S8 -","1","0.5","","Sanina, Nataliya A.; Aldoshin, Sergey M.; Shmatko, Natal'ya Yu.; Korchagin, Denis V.; Shilov, Gennadii V.; Knyazkina, Ekaterine V.; Ovanesyan, Nikolay S.; Kulikov, Alexander V.","Nitrosyl iron complexes with enhanced NO donating ability: synthesis, structure and properties of a new type of salt with the DNIC cations [Fe(SC(NH2)2)2(NO)2]+","New J. Chem.","2015","39","2","1022","","10.1039/C4NJ01693A","","","0.71073","MoKα","","0.0622","0.0415","","","0.0787","0.0915","","","","","","1.048","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054551","9.4934","0.0003","13.2045","0.0004","14.699","0.0005","76.486","0.002","85.811","0.002","83.394","0.002","1777.66","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Bis[aquatri(dimethylaminoethanolato)yttrium dicopper(II) triacetate] toluene sovate","","- C13.4 H24.5 Cl0 Cu N1.5 O5.92 Y0.5 -","- C13.4 H24.5 Cu N1.5 O5.922 Y0.5 -","- C53.6 H98 Cu4 N6 O23.688 Y2 -","4","2","","Ahmed, Sohail; Mansoor, Muhammad Adil; Basirun, Wan Jefrey; Sookhakian, Mehran; Huang, Nay Ming; Mun, Lo Kong; Söhnel, Tilo; Arifin, Zainudin; Mazhar, Muhammad","The synthesis and characterization of a hexanuclear copper‒yttrium complex for deposition of semiconducting CuYO2‒0.5Cu2O composite thin films","New J. Chem.","2015","39","2","1031","","10.1039/C4NJ01602E","","","0.71073","MoKα","","0.0391","0.0296","","","0.0762","0.0808","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054552","15.368","0.01","8.37","0.006","13.71","0.009","90","","101.697","0.012","90","","1727","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu4 N10 -","- C12 H12 Cu4 N10 -","- C48 H48 Cu16 N40 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhao, Zhi-Feng; Sun, Wen-Long; Zhou, Bai-Bin","Two novel topological structures of [Cu(CN)] coordination polymers modified by flexible triazole ligands","New J. Chem.","2015","39","2","1301","","10.1039/C4NJ01499E","","","0.71073","MoKα","","0.1241","0.0499","","","0.1123","0.1397","","","","","","1.01","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054553","15.836","0.005","24.736","0.007","7.948","0.002","90","","90","","90","","3113.4","1.5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H8 Cu N4 -","- C6 H8 Cu N4 -","- C96 H128 Cu16 N64 -","16","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhao, Zhi-Feng; Sun, Wen-Long; Zhou, Bai-Bin","Two novel topological structures of [Cu(CN)] coordination polymers modified by flexible triazole ligands","New J. Chem.","2015","39","2","1301","","10.1039/C4NJ01499E","","","0.71073","MoKα","","0.024","0.0235","","","0.0608","0.0611","","","","","","1.048","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054554","33.1","0.008","11.236","0.002","8.061","0.002","90","","97.58","0.03","90","","2971.8","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cl O4 P -","- C12 H18 Cl O4 P -","- C96 H144 Cl8 O32 P8 -","8","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71073","MoKα","","0.1173","0.0858","","","0.2375","0.2521","","","","","","1.082","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054555","33.434","0.014","11.241","0.005","7.946","0.003","90","","97.374","0.005","90","","2962","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Br O4 P -","- C12 H18 Br O4 P -","- C96 H144 Br8 O32 P8 -","8","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.0375","0.036","","","0.0922","0.0935","","","","","","1.074","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054556","34.091","0.018","11.245","0.006","8.001","0.004","90","","97.511","0.011","90","","3041","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 I O4 P -","- C12 H18 I O4 P -","- C96 H144 I8 O32 P8 -","8","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.0804","0.0671","","","0.2019","0.2136","","","","","","1.077","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054557","33.71","0.016","6.824","0.003","17.253","0.008","90","","90.834","0.008","90","","3968","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H27 O4 P -","- C20 H27 O4 P -","- C160 H216 O32 P8 -","8","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.07","0.0667","","","0.1676","0.1702","","","","","","1.143","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054558","13.664","0.009","10.956","0.006","23.642","0.014","90","","98.563","0.012","90","","3500","4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 N O4 P -","- C39 H48 N O4 P -","- C156 H192 N4 O16 P4 -","4","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.1581","0.1244","","","0.2379","0.2577","","","","","","1.211","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054559","6.69","0.002","9.064","0.003","17.502","0.005","79.175","0.012","89.61","0.012","82.167","0.012","1032.5","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 O5 P -","- C21 H27 O5 P -","- C42 H54 O10 P2 -","2","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.0421","0.0398","","","0.0997","0.1014","","","","","","1.078","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054560","41.181","0.013","11.01","0.003","8.186","0.003","90","","92.162","0.006","90","","3709","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 O5 P -","- C19 H23 O5 P -","- C152 H184 O40 P8 -","8","1","","Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy","Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior","New J. Chem.","2015","39","2","1186","","10.1039/C4NJ01614A","","","0.71075","MoKα","","0.0487","0.0466","","","0.1099","0.1113","","","","","","1.077","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054561","26.008","0.003","6.836","0.0008","22.709","0.003","90","","123.384","0.002","90","","3371.3","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H6.5 N5 O1.75 -","- C8 H6.5 N5 O1.75 -","- C128 H104 N80 O28 -","16","2","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen","M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb)","New J. Chem.","2015","39","2","1222","","10.1039/C4NJ01027B","","","0.71073","MoKα","","0.066","0.0432","","","0.1266","0.1531","","","","","","1.176","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054562","19.315","0.004","8.088","0.0016","11.97","0.002","90","","94.203","0.009","90","","1864.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Mn N10 O6 -","- C16 H16 Mn N10 O6 -","- C64 H64 Mn4 N40 O24 -","4","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen","M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb)","New J. Chem.","2015","39","2","1222","","10.1039/C4NJ01027B","","","0.71073","MoKα","","0.0345","0.028","","","0.0641","0.067","","","","","","0.985","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054563","19.02","0.003","8.0801","0.0012","11.953","0.0017","90","","94.235","0.008","90","","1832","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N10 O6 Zn -","- C16 H16 N10 O6 Zn -","- C64 H64 N40 O24 Zn4 -","4","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen","M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb)","New J. Chem.","2015","39","2","1222","","10.1039/C4NJ01027B","","","0.71073","MoKα","","0.0281","0.0251","","","0.0639","0.0653","","","","","","1.068","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054564","19.4542","0.0007","8.1626","0.0003","12.0696","0.0005","90","","94.203","0.002","90","","1911.46","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cd N10 O6 -","- C16 H16 Cd N10 O6 -","- C64 H64 Cd4 N40 O24 -","4","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen","M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb)","New J. Chem.","2015","39","2","1222","","10.1039/C4NJ01027B","","","0.71073","MoKα","","0.021","0.0202","","","0.0671","0.0676","","","","","","1.121","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054565","6.8792","0.0011","20.841","0.003","13.359","0.003","90","","103.471","0.012","90","","1862.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N5 O1.5 -","- C9 H8 N5 O1.5 -","- C72 H64 N40 O12 -","8","2","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen","M2+and Ln3±catalyzed synthesis of a [1,2,4]triazine core via intramolecular C‒H/N‒H functionalization and C‒N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb)","New J. Chem.","2015","39","2","1222","","10.1039/C4NJ01027B","","","0.71073","MoKα","","0.1283","0.0549","","","0.1391","0.1746","","","","","","0.959","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7054566","13.3142","0.0003","15.6092","0.0003","14.3394","0.0004","90","","98.779","0.001","90","","2945.16","0.12","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Br Cl2 Cu N6 -","- C30 H32 Br Cl2 Cu N6 -","- C120 H128 Br4 Cl8 Cu4 N24 -","4","1","","Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi","Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes","New J. Chem.","2015","39","2","1260","","10.1039/C4NJ01639D","","","0.71073","MoKα","","0.0859","0.061","","","0.1627","0.1863","","","","","","1.086","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054567","25.9994","0.0017","15.1102","0.001","17.1561","0.0011","90","","107.436","0.003","90","","6430.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl4 Cu2 N6 -","- C30 H32 Cl4 Cu2 N6 -","- C240 H256 Cl32 Cu16 N48 -","8","2","","Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi","Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes","New J. Chem.","2015","39","2","1260","","10.1039/C4NJ01639D","","","0.71073","MoKα","","0.1598","0.092","","","0.2418","0.2887","","","","","","1.02","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054568","10.2448","0.0009","12.581","0.0011","13.3336","0.0011","71.022","0.002","86.393","0.002","66.479","0.002","1485.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H30 Ag Cl N6 O4 -","- C29 H30 Ag Cl N6 O4 -","- C58 H60 Ag2 Cl2 N12 O8 -","2","1","","Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi","Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes","New J. Chem.","2015","39","2","1260","","10.1039/C4NJ01639D","","","0.71073","MoKα","","0.0639","0.0474","","","0.1193","0.126","","","","","","1.031","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054569","13.3203","0.0003","25.2381","0.0007","15.0807","0.0003","90","","109.346","0.001","90","","4783.5","0.2","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H53 B Co F4 N6 O6 P2 S2 -","- C43 H35 B Co F4 N6 O6 P2 S2 -","- C172 H140 B4 Co4 F16 N24 O24 P8 S8 -","4","1","","Jing, Xu; Wu, Pengyan; Liu, Xin; Yang, Linlin; He, Cheng; Duan, Chunying","Light-driven hydrogen evolution with a nickel thiosemicarbazone redox catalyst featuring Ni⋯H interactions under basic conditions","New J. Chem.","2015","39","2","1051","","10.1039/C4NJ01540A","","","0.71073","MoKα","","0.1008","0.0608","","","0.1621","0.1812","","","","","","1.036","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054570","9.43","0.0008","12.8553","0.001","21.7668","0.0018","93.409","0.006","91.482","0.006","111.218","0.005","2452.3","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H47 B F4 N6 Ni O5 P2 S2 -","- C42 H47 B F4 N6 Ni O5 P2 S2 -","- C84 H94 B2 F8 N12 Ni2 O10 P4 S4 -","2","1","","Jing, Xu; Wu, Pengyan; Liu, Xin; Yang, Linlin; He, Cheng; Duan, Chunying","Light-driven hydrogen evolution with a nickel thiosemicarbazone redox catalyst featuring Ni⋯H interactions under basic conditions","New J. Chem.","2015","39","2","1051","","10.1039/C4NJ01540A","","","0.71073","MoKα","","0.0932","0.0675","","","0.1964","0.2148","","","","","","1.063","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054571","4.919","0.002","7.285","0.001","18.574","0.002","84.19","0.01","86.42","0.01","84.08","0.02","657.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H34 O4 S4 -","- C24 H34 O4 S4 -","- C24 H34 O4 S4 -","1","0.5","","Turbiez, Mathieu; Faye, Djibril; Leriche, Philippe; Frère, Pierre","Bis-EDOT end capped by n-hexyl or n-hexylsulfanyl groups: the effect of the substituents on the stability of the oxidized states","New J. Chem.","2015","39","3","1678","","10.1039/C4NJ01684J","","x-ray","0.71073","MoKα","","0.0838","0.0571","","","0.1577","0.1763","","","","","","1.032","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054572","10.1585","0.0004","10.1585","0.0004","19.0174","0.0005","90","","90","","90","","1962.5","0.12","100","1","100","1","","","","","","","","5","P 43","P 4cw","78","","","","- C19 H27 F N2 O4 -","- C19 H27 F N2 O4 -","- C76 H108 F4 N8 O16 -","4","1","","Hassoun, Ammar; Grison, Claire M.; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Conformational preferences in the β-peptide oligomers of cis-2-amino-1-fluorocyclobutane-1-carboxylic acid","New J. Chem.","2015","39","5","3270","","10.1039/C4NJ01929F","","x-ray","0.71073","MoKα","","0.0348","0.0321","","","0.0833","0.0851","","","","","","1.028","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054573","5.35","0.0009","20.2","0.003","29.927","0.004","90","","90","","90","","3234.2","0.8","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 F4 N4 O7 -","- C32 H40 F4 N4 O7 -","- C128 H160 F16 N16 O28 -","4","1","","Hassoun, Ammar; Grison, Claire M.; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Conformational preferences in the β-peptide oligomers of cis-2-amino-1-fluorocyclobutane-1-carboxylic acid","New J. Chem.","2015","39","5","3270","","10.1039/C4NJ01929F","","x-ray","0.71069","MoKα","","0.1212","0.0682","","","0.1483","0.1709","","","","","","1.031","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054574","12.4021","0.0012","12.3286","0.0012","13.1324","0.0013","90","","105.544","0.001","90","","1934.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cu N7 O8 -","- C17 H15 Cu N7 O8 -","- C68 H60 Cu4 N28 O32 -","4","1","","Ma, Lu-Fang; Shi, Zhen-Zhen; Li, Fei-Fei; Zhang, Jian; Wang, Li-Ya","Coordination polymers with free Brønsted acid sites for selective catalysis","New J. Chem.","2015","39","2","810","","10.1039/C4NJ01898B","","","0.71073","MoKα","","0.036","0.0288","","","0.0772","0.083","","","","","","1.001","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054575","10.272","0.003","15.184","0.004","16.2","0.004","100.009","0.003","99.61","0.003","108.045","0.003","2299.2","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cu2 N14 O18 -","- C42 H34 Cu2 N14 O18 -","- C84 H68 Cu4 N28 O36 -","2","1","","Ma, Lu-Fang; Shi, Zhen-Zhen; Li, Fei-Fei; Zhang, Jian; Wang, Li-Ya","Coordination polymers with free Brønsted acid sites for selective catalysis","New J. Chem.","2015","39","2","810","","10.1039/C4NJ01898B","","","0.71073","MoKα","","0.0942","0.0546","","","0.1336","0.1587","","","","","","1.011","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054576","13.0584","0.0003","17.2823","0.0003","17.4795","0.0004","90","","94.228","0.002","90","","3934.02","0.15","190","","190","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N4 O12 S4 -","- C36 H36 N4 O12 S4 -","- C144 H144 N16 O48 S16 -","4","1","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0619","0.0493","","0.1598","0.1378","0.1598","","","","","","0.9865","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054577","11.0672","0.0008","12.3077","0.0011","18.3099","0.0011","101.125","0.007","95.076","0.006","102.421","0.007","2367.8","0.3","170","","170","","","","101","","","","","5","P -1","-P 1","2","","","","- C44 H52 N4 O12 S4 -","- C44 H52 N4 O12 S4 -","- C88 H104 N8 O24 S8 -","2","1","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0745","0.0613","","0.213","0.1779","0.196","","","","","","0.921","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054578","13.2452","0.00012","13.2452","0.00012","14.9787","0.0002","90","","90","","90","","2627.79","0.05","170","","170","","","","101","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H58 N6 O12 S4 -","- C48 H58 N6 O12 S4 -","- C96 H116 N12 O24 S8 -","2","0.25","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0851","0.08","","0.2601","0.2505","0.2601","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054579","12.73537","0.00012","12.73537","0.00012","28.8831","0.0003","90","","90","","90","","4684.54","0.08","190","","190","","","","101","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C52 H36 N4 O12 S4 -","- C52 H36 N4 O12 S4 -","- C208 H144 N16 O48 S16 -","4","0.5","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0464","0.0437","","0.1148","0.1044","0.1148","","","","","","1.0794","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054580","27.261","0.0014","16.3468","0.0003","17.9466","0.0009","90","","139.366","0.01","90","","5208.2","1.1","180","","180","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 N4 O12 S4 -","- C48 H60 N4 O12 S4 -","- C192 H240 N16 O48 S16 -","4","1","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.54184","CuKα","","0.0766","0.0588","","0.131","0.1079","0.1309","","","","","","1.0005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054581","11.2845","0.0012","18.1827","0.0017","18.8706","0.0019","90","","105.953","0.01","90","","3722.8","0.7","180","","180","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 N4 O12 S4 -","- C36 H20 N4 O12 S4 -","- C144 H80 N16 O48 S16 -","4","0.5","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.54184","CuKα","","0.1203","0.1094","","0.218","0.2151","0.218","","","","","","0.9798","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054582","12.64786","0.00019","14.04823","0.00019","13.3958","0.0002","90","","101.233","0.0015","90","","2334.57","0.06","190","","190","","","","101","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H52 N4 O12 S4 -","- C44 H52 N4 O12 S4 -","- C88 H104 N8 O24 S8 -","2","1","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","","1.5418","CuKα","","0.0547","0.0534","","0.1274","0.1223","0.1274","","","","","","0.9794","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054583","28.7209","0.0004","19.3593","0.0004","13.9154","0.0004","90","","136.11","0.003","90","","5364","0.4","120","0.14","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C48 H56 N8 O12 S4 -","- C48 H56 N8 O12 S4 -","- C192 H224 N32 O48 S16 -","4","0.5","","Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel","Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation","New J. Chem.","2015","39","2","1382","","10.1039/C4NJ01956C","","x-ray","1.5418","CuKα","","0.058","0.0511","","","0.1383","0.1425","","","","2.37","2.37","2.26","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054585","15.65","0.01","17.82","0.01","26.44","0.02","70.56","0.03","86.08","0.03","87.57","0.04","6936","8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C150.6 H206.4 N8 O14.6 -","- C150.6 H206.4 N8 O14.6 -","- C301.2 H412.8 N16 O29.2 -","2","1","","Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Pisagatti, Ilenia; Marcos, Paula Maria; Ascenso, José Rosário; Brancatelli, Giovanna; Geremia, Silvano","Selective recognition of biogenic amine hydrochlorides by heteroditopic dihomooxacalix[4]arenes","New J. Chem.","2015","39","2","817","","10.1039/C4NJ01423E","","","0.7","","","0.1594","0.1288","","","0.3366","0.3641","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054586","15.6352","0.0002","16.2677","0.0002","8.8947","0.00012","90","","103.891","0.0014","90","","2196.2","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O2 S -","- C26 H25 N3 O2 S -","- C104 H100 N12 O8 S4 -","4","1","","Sharma, Shilpa; Pradeep, Chullikkattill. P.; Dhir, Abhimanew","Dansyl-carbazole AIEE material for selective recognition of thiourea derivatives","New J. Chem.","2015","39","3","1822","","10.1039/C4NJ01800A","","","0.71073","MoKα","","0.0326","0.0307","","","0.0772","0.0786","","","","","","1.065","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054587","14.9946","0.0006","17.0429","0.0007","22.7907","0.0008","90","","128.291","0.002","90","","4571.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H41 Er N2 O6 -","- C55 H41 Er N2 O6 -","- C220 H164 Er4 N8 O24 -","4","1","","Martín-Ramos, Pablo; Coutinho, Joana T.; Ramos Silva, Manuela; Pereira, Laura C. J.; Lahoz, Fernando; da Silva, Pedro S. Pereira; Lavín, Víctor; Martín-Gil, Jesús","Slow magnetic relaxation and photoluminescent properties of a highly coordinated erbium(iii) complex with dibenzoylmethane and 2,2′-bipyridine","New J. Chem.","2015","39","3","1703","","10.1039/C4NJ01828A","","","0.71073","MoKα","","0.0334","0.0208","","","0.0457","0.0513","","","","","","1.04","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054588","15.2886","0.0006","17.7424","0.0007","20.7735","0.0007","73.91","0.002","70.046","0.002","68.647","0.002","4857.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H41 Er N2 O6 -","- C55 H41 Er N2 O6 -","- C220 H164 Er4 N8 O24 -","4","2","","Martín-Ramos, Pablo; Coutinho, Joana T.; Ramos Silva, Manuela; Pereira, Laura C. J.; Lahoz, Fernando; da Silva, Pedro S. Pereira; Lavín, Víctor; Martín-Gil, Jesús","Slow magnetic relaxation and photoluminescent properties of a highly coordinated erbium(iii) complex with dibenzoylmethane and 2,2′-bipyridine","New J. Chem.","2015","39","3","1703","","10.1039/C4NJ01828A","","","0.71073","MoKα","","0.1672","0.0664","","","0.1354","0.1627","","","","","","0.869","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054589","13.9619","0.0007","25.3276","0.0014","12.567","0.0006","90","","104.037","0.003","90","","4311.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 B Cu N7 S2 -","- C50 H44 B Cu N7 S2 -","- C200 H176 B4 Cu4 N28 S8 -","4","1","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Sirirak, Jitnapa; Tangtirungrotechai, Yuthana; Webster, Richard D.; Adams, Harry","Copper hydrotris(3,5-diphenylpyrazolyl)borate dithiocarbamates: mimicking green copper proteins","New J. Chem.","2015","39","2","1498","","10.1039/C4NJ01298D","","","0.71073","MoKα","","0.1307","0.0601","","","0.1397","0.1773","","","","","","0.987","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054590","17.804","0.005","18.099","0.005","17.81","0.005","90","","119.686","0.006","90","","4986","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 B Cu N7 S2 -","- C60 H48 B Cu N7 S2 -","- C240 H192 B4 Cu4 N28 S8 -","4","1","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Sirirak, Jitnapa; Tangtirungrotechai, Yuthana; Webster, Richard D.; Adams, Harry","Copper hydrotris(3,5-diphenylpyrazolyl)borate dithiocarbamates: mimicking green copper proteins","New J. Chem.","2015","39","2","1498","","10.1039/C4NJ01298D","","","0.71073","MoKα","","0.1377","0.0689","","","0.18","0.2489","","","","","","0.995","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054591","13.9204","0.0014","25.042","0.003","12.6285","0.0013","90","","102.523","0.002","90","","4297.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 B Cu N7 S2 -","- C50 H42 B Cu N7 S2 -","- C200 H168 B4 Cu4 N28 S8 -","4","1","","Harding, David J.; Phonsri, Wasinee; Harding, Phimphaka; Sirirak, Jitnapa; Tangtirungrotechai, Yuthana; Webster, Richard D.; Adams, Harry","Copper hydrotris(3,5-diphenylpyrazolyl)borate dithiocarbamates: mimicking green copper proteins","New J. Chem.","2015","39","2","1498","","10.1039/C4NJ01298D","","","0.71073","MoKα","","0.0677","0.0448","","","0.1283","0.1717","","","","","","1.024","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054592","15.7805","0.0009","5.0908","0.0003","21.06","0.0013","90","","110.851","0.001","90","","1581.06","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Ragab, Sherif Shaban; Swaminathan, Subramani; Garcia-Amorós, Jaume; Captain, Burjor; Raymo, Françisco M.","Bimolecular photoactivation of NBD fluorescence","New J. Chem.","2015","39","3","1570","","10.1039/C4NJ01983K","","","0.71073","MoKα","","0.0523","0.038","","","0.0949","0.1034","","","","","","1.038","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054593","15.5059","0.0003","11.4074","0.0002","16.1421","0.0003","90","","100.036","0.0016","90","","2811.56","0.09","99.99","0.17","99.99","0.17","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl2 N5 Ni O9 -","- C26 H25 Cl2 N5 Ni O9 -","- C104 H100 Cl8 N20 Ni4 O36 -","4","1","","Song, Xiaowei; Wen, Huimin; Ma, Chengbing; Chen, Hui; Chen, Changneng","Hydrogen photogeneration catalyzed by a cobalt complex of a pentadentate aminopyridine-based ligand","New J. Chem.","2015","39","3","1734","","10.1039/C4NJ01858C","","","1.54184","CuKα","","","0.0421","","","0.1041","0.1093","","","","","","1.054","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054594","15.5452","0.0002","11.45475","0.00014","16.1105","0.0002","90","","99.8494","0.0012","90","","2826.46","0.06","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl2 Co N5 O9 -","- C26 H25 Cl2 Co N5 O9 -","- C104 H100 Cl8 Co4 N20 O36 -","4","1","","Song, Xiaowei; Wen, Huimin; Ma, Chengbing; Chen, Hui; Chen, Changneng","Hydrogen photogeneration catalyzed by a cobalt complex of a pentadentate aminopyridine-based ligand","New J. Chem.","2015","39","3","1734","","10.1039/C4NJ01858C","","","1.54184","CuKα","","","0.0308","","","0.0751","0.0781","","","","","","1.035","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054595","11.307","0.0004","13.8002","0.0004","17.341","0.0005","70.683","0.002","73.734","0.002","71.237","0.002","2371.71","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 Cl6 N5 O8 -","- C39 H55 Cl6 N5 O8 -","- C78 H110 Cl12 N10 O16 -","2","1","","Pike, Sarah J.; Boddaert, Thomas; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Participation of non-aminoisobutyric acid (Aib) residues in the 310helical conformation of Aib-rich foldamers: a solid state study","New J. Chem.","2015","39","5","3288","","10.1039/C4NJ01547A","","","1.54178","CuKα","","0.0815","0.0659","","","0.1562","0.1683","","","","","","1.07","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054596","19.2677","0.0013","14.6496","0.0008","22.219","0.002","90","","122.706","0.005","90","","5277.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H82 Cl4 P2 Ru -","- C54 H82 Cl4 P2 Ru -","- C216 H328 Cl16 P8 Ru4 -","4","1","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","","0.71073","MoKα","","0.0818","0.0634","","","0.1641","0.1795","","","","","","1.053","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054597","46.1591","0.0018","46.1591","0.0018","13.9447","0.0003","90","","90","","120","","25730.9","1.5","100","0.1","100","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C51 H76 Cl2 P2 Ru -","- C51 H76 Cl2 P2 Ru -","- C918 H1368 Cl36 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","","1.5418","CuKα","","0.0932","0.0628","","","0.1603","0.1812","","","","","","0.955","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054598","11.4775","0.0003","19.2194","0.0005","25.7969","0.0006","90","","96.478","0.002","90","","5654.2","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H45 Cl2 O P Ru -","- C28 H45 Cl2 O P Ru -","- C224 H360 Cl16 O8 P8 Ru8 -","8","2","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","","0.7107","MoKα","","0.1065","0.0543","","","0.1042","0.125","","","","","","0.968","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054599","10.2241","0.0008","12.7121","0.001","20.0557","0.0016","72.94","0.007","76.718","0.007","81.407","0.006","2415.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H44 Cl2 P2 Ru -","- C53 H44 Cl2 P2 Ru -","- C106 H88 Cl4 P4 Ru2 -","2","1","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","","0.71073","MoKα","","0.0843","0.0619","","","0.1616","0.1767","","","","","","1.026","","","","has coordinates,has disorder","180099","2020-10-21","18:00:00",""
"7054600","6.6764","0.0002","16.5673","0.0006","11.6107","0.0003","90","","92.308","0.003","90","","1283.22","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","","1.5418","CuKα","","0.045","0.0383","","","0.1005","0.1072","","","","","","1.062","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054601","47.1514","0.0015","47.1514","0.0015","13.6692","0.0003","90","","90","","120","","26318.6","1.3","100","0.1","100","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C53 H80 Cl2 P2 Ru -","- C53 H80 Cl2 P2 Ru -","- C954 H1440 Cl36 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","x-ray","1.54184","CuKα","","0.0967","0.072","","","0.1589","0.1715","","","","","","1.049","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054602","46.042","0.0017","46.042","0.0017","14.0313","0.0003","90","","90","","120","","25759.5","1.5","100","0.1","100","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C55 H78 Cl2 P2 Ru -","- C55 H78 Cl2 P2 Ru -","- C990 H1404 Cl36 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","x-ray","1.54184","CuKα","","0.1289","0.0968","","","0.2133","0.2263","","","","","","1.032","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054603","45.479","0.003","45.479","0.003","14.179","0.0005","90","","90","","120","","25398","3","100","0.1","100","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C51 H75 Cl2 F P2 Ru -","- C51 H75 Cl2 F P2 Ru -","- C918 H1350 Cl36 F18 P36 Ru18 -","18","","","Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis","Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols","New J. Chem.","2015","39","3","1858","","10.1039/C4NJ02034K","","x-ray","1.54184","CuKα","","0.1537","0.0916","","","0.1781","0.2086","","","","","","0.962","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054604","10.1589","0.0011","11.3338","0.0012","11.6688","0.0014","68.322","0.001","67.396","0.001","82.841","0.002","1152.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O4 -","- C26 H25 N3 O4 -","- C52 H50 N6 O8 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.0931","0.0513","","","0.1346","0.172","","","","","","0.973","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054605","7.3752","0.0006","10.9275","0.0009","14.5614","0.0012","101.707","0.002","92.769","0.001","98.544","0.001","1132.64","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O3 -","- C25 H24 N4 O3 -","- C50 H48 N8 O6 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.1387","0.0721","","","0.1896","0.2453","","","","","","1.025","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054606","7.7356","0.0007","10.8256","0.0008","13.5508","0.0011","112.683","0.002","90.907","0.001","107.741","0.001","985.67","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C48 H42 N6 O4 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.0735","0.0446","","","0.1076","0.132","","","","","","1.044","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054607","9.5274","0.0008","10.4205","0.0009","14.7518","0.0013","77.254","0.001","82.096","0.001","84.377","0.002","1411.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 N4 O3 -","- C32 H34 N4 O3 -","- C64 H68 N8 O6 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.2033","0.0729","","","0.1616","0.2464","","","","","","1.01","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054608","7.2287","0.0006","11.0934","0.0009","14.0509","0.0014","107.981","0.002","99.534","0.001","105.146","0.001","996.58","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C48 H42 N6 O4 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.0627","0.0427","","","0.1076","0.1258","","","","","","0.971","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054609","8.4482","0.0007","10.4238","0.0011","13.9303","0.0012","86.458","0.002","77.239","0.001","86.317","0.002","1192.54","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O6 -","- C27 H25 N3 O6 -","- C54 H50 N6 O12 -","2","1","","Yan, Xingchen; Xu, Jiakun; Wu, Xiaojing; Zhang, Zhongyu; Zhang, Xia; Fan, Yuhua; Bi, Caifeng","Proteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study","New J. Chem.","2015","39","3","2168","","10.1039/C4NJ01906G","","","0.71073","MoKα","","0.1562","0.064","","","0.1427","0.1892","","","","","","0.995","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054610","11.552","0.0001","12.366","0.0001","22.149","0.0002","90","","97.83","","90","","3134.53","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Al2 N2 O4 -","- C34 H36 Al2 N2 O4 -","- C136 H144 Al8 N8 O16 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.0475","0.0374","","","0.0982","0.1063","","","","","","1.034","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7054611","12.0601","0.0002","22.5938","0.0003","35.5013","0.0006","90","","90","","90","","9673.5","0.3","150","2","150","2","","","","","","","","6","P b n 21","P 2c -2ab","33","","","","- C102 H95 Al4 Cl8 N4 O8 -","- C102 H95 Al4 Cl8 N4 O8 -","- C408 H380 Al16 Cl32 N16 O32 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.115","0.0756","","","0.1719","0.195","","","","","","1.038","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054612","13.632","0.003","19.128","0.0017","25.491","0.002","90","","99.037","0.007","90","","6564.3","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H100 Al2 N2 O4 -","- C69 H100 Al2 N2 O4 -","- C276 H400 Al8 N8 O16 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.1104","0.0638","","","0.1417","0.1716","","","","","","1.043","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054613","22.383","0.0016","5.781","0.0005","17.844","0.0016","90","","99.915","0.004","90","","2274.5","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.047","0.0372","","","0.0855","0.0923","","","","","","1.064","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054614","9.505","0.0002","11.258","0.0002","13.533","0.0003","90","","109.058","0.001","90","","1368.76","0.05","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.0696","0.0458","","","0.1046","0.1182","","","","","","1.05","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054615","8.041","0.0005","8.647","0.0006","18.742","0.001","90","","95.121","0.004","90","","1297.94","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C56 H44 Cl8 N4 O8 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.0482","0.0357","","","0.0857","0.093","","","","","","1.031","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054616","9.96","0.0001","24.276","0.0003","12.226","0.0002","90","","104.981","0.001","90","","2855.64","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 N O2 -","- C30 H45 N O2 -","- C120 H180 N4 O8 -","4","1","","Forder, Thomas R.; Jones, Matthew D.","Synthesis and characterisation of aluminium(iii) imine bis(phenolate) complexes with application for the polymerisation of rac-LA","New J. Chem.","2015","39","3","1974","","10.1039/C4NJ02228A","","","0.71073","MoKα","","0.0651","0.05","","","0.1286","0.1392","","","","","","1.033","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054617","8.3983","0.0008","25.31","0.003","14.1228","0.0016","90","","105.357","0.002","90","","2894.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 Eu2 I6 N2 O16 -","- C48 H42 Eu2 I6 N2 O16 -","- C96 H84 Eu4 I12 N4 O32 -","2","0.5","","Monteiro, Jorge H. S. K.; de Bettencourt-Dias, Ana; Mazali, Italo O.; Sigoli, Fernando A.","The effect of 4-halogenobenzoate ligands on luminescent and structural properties of lanthanide complexes: experimental and theoretical approaches","New J. Chem.","2015","39","3","1883","","10.1039/C4NJ01701C","","","0.71073","MoKα","","0.056","0.0331","","","0.0492","0.0539","","","","","","1.01","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054618","8.782","0.005","11.521","0.005","14.083","0.005","106.769","0.005","98.537","0.005","91.636","0.005","1345.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 Mo N4 O7 S -","- C25 H26 Mo N4 O7 S -","- C50 H52 Mo2 N8 O14 S2 -","2","1","","Maurya, Mannar R.; Dhaka, Sarita; Avecilla, Fernando","Oxidation of secondary alcohols by conventional and microwave-assisted methods using molybdenum complexes of ONO donor ligands","New J. Chem.","2015","39","3","2130","","10.1039/C4NJ02208D","","","0.71073","MoKα","","0.0719","0.046","","","0.1162","0.1421","","","","","","1.094","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054619","7.3114","0.001","13.174","0.002","13.6623","0.0019","98.512","0.007","91.457","0.006","90.513","0.007","1300.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Mo N6 O7 S -","- C24 H26 Mo N6 O7 S -","- C48 H52 Mo2 N12 O14 S2 -","2","1","","Maurya, Mannar R.; Dhaka, Sarita; Avecilla, Fernando","Oxidation of secondary alcohols by conventional and microwave-assisted methods using molybdenum complexes of ONO donor ligands","New J. Chem.","2015","39","3","2130","","10.1039/C4NJ02208D","","","0.71073","MoKα","","0.1703","0.083","","","0.1915","0.2258","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054620","13.4761","0.0019","13.4761","0.0019","27.254","0.005","90","","90","","90","","4949.5","1.3","153","2","153","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C10 H13 N4 O3 Zn -","- C6 H4 N3 O2 Zn -","- C96 H64 N48 O32 Zn16 -","16","1","","Zhu, Yu; Wang, Yan-Mei; Liu, Pan; Wu, Yun-Long; Wei, Wei; Xia, Chang-Kun; Xie, Ji-Min","Cage-like pores of a metal‒organic framework for separations and encapsulation of Pd nanoparticles for efficient catalysis","New J. Chem.","2015","39","4","2669","","10.1039/C4NJ01985G","","","0.71073","MoKα","","0.0607","0.052","","","0.1573","0.1644","","","","","","1.089","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054621","9.4237","0.0006","11.6936","0.0007","9.8675","0.0007","90","","95.103","0.002","90","","1083.06","0.12","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H33 N3 O7 -","- C19 H33 N3 O7 -","- C38 H66 N6 O14 -","2","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","0.71073","MoKα","","0.0404","0.0319","","","0.0681","0.0718","","","","","","1.047","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054622","9.4408","0.0003","11.5247","0.0003","15.054","0.0004","90","","91.567","0.0015","90","","1637.3","0.08","301.4","","301.4","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H47 N5 O9 -","- C29 H47 N5 O9 -","- C58 H94 N10 O18 -","2","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","1.54178","CuKα","","0.0726","0.0475","","","0.1181","0.1331","","","","","","1.028","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054623","31.232","0.008","8.842","0.002","18.831","0.005","90","","95.848","0.007","90","","5173","2","103.5","","103.5","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H59 N7 O10 -","- C39 H59 N7 O10 -","- C156 H236 N28 O40 -","4","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","0.71073","MoKα","","0.1034","0.0767","","","0.2191","0.2378","","","","","","1.037","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054624","9.2829","0.0008","17.955","0.002","23.143","0.003","90","","90","","90","","3857.3","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 N5 O8 -","- C29 H45 N5 O8 -","- C116 H180 N20 O32 -","4","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","0.71073","MoKα","","0.0588","0.0494","","","0.1212","0.1258","","","","","","1.065","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054625","7.42","0.0009","7.42","0.0009","12.11","0.002","90","","90","","120","","577.41","0.14","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C2 H8 O8 Zn -","- C2 H8 O8 Zn -","- C6 H24 O24 Zn3 -","3","0.5","","Mei, Hong-Xin; Zhang, Ting; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","A Zn-oxalate helix linked by a water helix: spontaneous chiral resolution of a Zn helical coordination polymer","New J. Chem.","2015","39","3","2075","","10.1039/C4NJ02017K","","","0.71073","MoKα","","0.0483","0.0442","","","0.1156","0.1227","","","","","","0.94","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7054626","7.42","0.0003","7.42","0.0003","12.11","0.0007","90","","90","","120","","577.41","0.05","173","2","173","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C2 H8 O8 Zn -","- C2 H8 O8 Zn -","- C6 H24 O24 Zn3 -","3","0.5","","Mei, Hong-Xin; Zhang, Ting; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","A Zn-oxalate helix linked by a water helix: spontaneous chiral resolution of a Zn helical coordination polymer","New J. Chem.","2015","39","3","2075","","10.1039/C4NJ02017K","","","0.71073","MoKα","","0.0405","0.0365","","","0.0712","0.0732","","","","","","1.052","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7054627","9.8262","0.0003","9.8965","0.0003","9.9887","0.0003","104.009","0.003","99.865","0.002","110.767","0.003","845.09","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl2 N4 O2 Pd -","- C15 H18 Cl2 N4 O2 Pd -","- C30 H36 Cl4 N8 O4 Pd2 -","2","1","","Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev","Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions","New J. Chem.","2015","39","3","2042","","10.1039/C4NJ01300J","","","1.5418","CuKα","","0.0373","0.0367","","","0.096","0.0967","","","","","","1.068","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054628","9.606","0.002","15.616","0.004","10.6058","0.0011","90","","104.624","0.016","90","","1539.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N4 O2 Pd -","- C15 H20 N4 O2 Pd -","- C60 H80 N16 O8 Pd4 -","4","1","","Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev","Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions","New J. Chem.","2015","39","3","2042","","10.1039/C4NJ01300J","","","0.71073","MoKα","","0.054","0.0392","","","0.0917","0.0956","","","","","","1.018","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054629","10.4774","0.0004","10.9664","0.0003","16.1533","0.0006","90","","99.73","0.003","90","","1829.31","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 N4 O4 Pd -","- C17 H24 N4 O4 Pd -","- C68 H96 N16 O16 Pd4 -","4","1","","Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev","Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions","New J. Chem.","2015","39","3","2042","","10.1039/C4NJ01300J","","","1.54184","CuKα","","0.0349","0.0305","","","0.0816","0.086","","","","","","1.063","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054630","9.864","0.005","10.537","0.005","17.033","0.005","90","0.005","106.046","0.005","90","0.005","1701.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N4 O2 Pd -","- C17 H24 N4 O2 Pd -","- C68 H96 N16 O8 Pd4 -","4","1","","Kumar, Sushil; Jha, Rajeev Ranjan; Yadav, Sunil; Gupta, Rajeev","Pd(ii) complexes with amide-based macrocycles: syntheses, properties and applications in cross-coupling reactions","New J. Chem.","2015","39","3","2042","","10.1039/C4NJ01300J","","","1.54184","CuKα","","0.067","0.0589","","","0.1847","0.2052","","","","","","1.053","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054631","16.43","0.0012","26.165","0.002","21.2458","0.0015","90","","105.579","0.001","90","","8797.8","1.1","188","2","188","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H66 N2 O4 Ti -","- C41 H66 N2 O4 Ti -","- C328 H528 N16 O32 Ti8 -","8","1","","Gao, Bo; Li, Xiang; Duan, Ranlong; Pang, Xuan","Titanium complexes with octahedral geometry chelated by salen ligands adopting β-cis configuration for the ring-opening polymerisation of lactide","New J. Chem.","2015","39","4","2404","","10.1039/C4NJ02266A","","","0.71073","MoKα","","0.0984","0.0684","","","0.1828","0.2011","","","","","","1.059","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054632","15.4724","0.0019","14.1459","0.0017","24.04","0.002","90","","90.188","0.002","90","","5261.6","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H92 Eu3 N11 O38 -","- C80 H92 Eu3 N11 O38 -","- C160 H184 Eu6 N22 O76 -","2","0.5","","Li, Ao; Li, Liang; Lin, Zhi; Song, Lin; Wang, Zi-Hao; Chen, Qiang; Yang, Tao; Zhou, Xin-Hui; Xiao, Hong-Ping; Yin, Xiu-Ju","Guest-induced reversible structural transitions and concomitant on/off luminescence switching of an Eu(iii) metal‒organic framework and its application in detecting picric acid","New J. Chem.","2015","39","3","2289","","10.1039/C4NJ01946F","","","0.71073","MoKα","","0.0584","0.0543","","","0.1365","0.1371","","","","","","1.001","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054634","5.8352","0.0012","7.3473","0.0015","5.2561","0.001","90","","90","","90","","225.34","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Dy0.5 Mn O3 Yb0.5 -","- Dy0.5 Mn O3 Yb0.5 -","- Dy2 Mn4 O12 Yb2 -","4","0.5","","Zhang, Yingnan; Liu, Fuyang; Zheng, Tong; Zhang, Ziqing; Liu, Wei; Zhao, Xudong; Liu, Xiaoyang","Synthesis of perovskite-type manganites Yb1−xDyxMnO3(0.1 ≤ x ≤ 0.5) via solid-state reaction and high-pressure flux methods followed by structural characterization and magnetic property studies","New J. Chem.","2015","39","4","2596","","10.1039/C4NJ01876A","","","0.71073","MoKα","","0.0177","0.0171","","","0.0397","0.0402","","","","","","1.201","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054635","8.2512","0.0003","30.1101","0.001","11.634","0.0005","90","","102.212","0.001","90","","2825","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 F6 N5 O2 S -","- C28 H25 F6 N5 O2 S -","- C112 H100 F24 N20 O8 S4 -","4","1","","Guo, Jixi; Liu, Li; Jia, Dianzeng; Guo, Mingxi; Zhang, Yucai; Song, Xianli","Photochromism and fluorescence modulation of pyrazolone derivatives in the solid state","New J. Chem.","2015","39","4","3059","","10.1039/C4NJ01970A","","","0.71073","MoKα","","0.1099","0.0723","","","0.1355","0.1574","","","","","","1.081","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054636","9.2721","0.0007","10.3272","0.0006","10.7817","0.0007","81.614","0.005","81.335","0.006","89.456","0.005","1009.62","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl(2R,3aR,10bR)-1-benzyl-10-chloro-1,2,3,3a,4,10b-hexadydropyrrolo- [2'3':3,4]pyrrolo[1,2-a]indole-2-carboxylate","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C46 H46 Cl2 N4 O4 -","2","1","","Sutariya, Tushar R.; Labana, Balvantsingh M.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.; Plata, Gabriela B.; Padrón, José M.","Efficient synthesis of some new antiproliferative N-fused indoles and isoquinolines via 1,3-dipolar cycloaddition reaction in an ionic liquid","New J. Chem.","2015","39","4","2657","","10.1039/C4NJ02308K","","","0.71073","MoKα","","0.1201","0.0569","","","0.1227","0.1606","","","","","","0.996","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054637","13.9521","0.001","6.6102","0.0004","21.977","0.0013","90","","106.352","0.007","90","","1944.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5aS,12bS)-12-chloro-2,3-dimethoxy-4b,5,5a,12b,14, 15-hexahydro-6H-benzo[5',6']pyrrolizino[2',1':4,5]pyrrolo[2,1-a]isoquinoline","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C92 H92 Cl4 N8 O8 -","4","1","","Sutariya, Tushar R.; Labana, Balvantsingh M.; Parmar, Narsidas J.; Kant, Rajni; Gupta, Vivek K.; Plata, Gabriela B.; Padrón, José M.","Efficient synthesis of some new antiproliferative N-fused indoles and isoquinolines via 1,3-dipolar cycloaddition reaction in an ionic liquid","New J. Chem.","2015","39","4","2657","","10.1039/C4NJ02308K","","","0.71073","MoKα","","0.0672","0.0441","","","0.0975","0.1118","","","","","","1.019","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054638","6.7203","0.0002","8.2504","0.0003","12.3358","0.0004","84.469","0.001","79.593","0.002","85.31","0.002","668.13","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H34 Co N4 O18 S2 -","- C14 H34 Co N4 O18 S2 -","- C14 H34 Co N4 O18 S2 -","1","0.5","","Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry","Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity","New J. Chem.","2015","39","4","2682","","10.1039/C4NJ02195A","","","0.71073","MoKα","","0.0565","0.0421","","","0.1085","0.1183","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054639","6.8292","0.0001","8.1314","0.0002","12.3445","0.0003","85.429","0.001","81.437","0.001","85.436","0.001","674.11","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H34 Cu N4 O18 S2 -","- C14 H34 Cu N4 O18 S2 -","- C14 H34 Cu N4 O18 S2 -","1","0.5","","Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry","Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity","New J. Chem.","2015","39","4","2682","","10.1039/C4NJ02195A","","","0.71073","MoKα","","0.0537","0.0475","","","0.1225","0.1278","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054640","6.6706","0.0001","26.5804","0.0004","15.2009","0.0002","90","","92.254","0.001","90","","2693.14","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 Fe N4 O17 S2 -","- C14 H32 Fe N4 O17 S2 -","- C56 H128 Fe4 N16 O68 S8 -","4","1","","Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry","Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity","New J. Chem.","2015","39","4","2682","","10.1039/C4NJ02195A","","","0.71073","MoKα","","0.0573","0.0432","","","0.1082","0.1184","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054641","6.6415","0.0003","8.2264","0.0004","12.2601","0.0006","84.337","0.002","79.491","0.002","85.886","0.002","654.4","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H34 N4 Ni O18 S2 -","- C14 H34 N4 Ni O18 S2 -","- C14 H34 N4 Ni O18 S2 -","1","0.5","","Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry","Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity","New J. Chem.","2015","39","4","2682","","10.1039/C4NJ02195A","","","0.71073","MoKα","","0.0446","0.0359","","","0.0991","0.1138","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054642","11.6864","0.0003","17.6541","0.0004","14.7499","0.0004","90","","113.152","0.001","90","","2798.02","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Co2 I3 N4 O -","- C22 H33 Co2 I3 N4 O -","- C88 H132 Co8 I12 N16 O4 -","4","1","","Khandar, Ali Akbar; Kirschbaum, Kristin; Abedi, Marjan; Mock, Kristi; Tracy, Greg; Spasojevic, Vojislav; Hosseini-Yazdi, Seyed Abolfazl","Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(ii) complexes with a new tetraaza m-xylyl-based macrocyclic ligand","New J. Chem.","2015","39","4","2822","","10.1039/C4NJ01608D","","","0.71073","MoKα","","0.05","0.0456","","","0.0924","0.0939","","","","","","1.272","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054643","8.8736","0.0002","13.6929","0.0003","21.0647","0.0006","90","","90","","90","","2559.47","0.11","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl4 Co N4 -","- C22 H34 Cl4 Co N4 -","- C88 H136 Cl16 Co4 N16 -","4","1","","Khandar, Ali Akbar; Kirschbaum, Kristin; Abedi, Marjan; Mock, Kristi; Tracy, Greg; Spasojevic, Vojislav; Hosseini-Yazdi, Seyed Abolfazl","Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(ii) complexes with a new tetraaza m-xylyl-based macrocyclic ligand","New J. Chem.","2015","39","4","2822","","10.1039/C4NJ01608D","","","0.71073","MoKα","","0.085","0.0589","","","0.1233","0.1336","","","","","","1.025","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054644","7.9236","0.0012","10.168","0.0017","10.2931","0.0018","62.925","0.003","67.443","0.003","69.428","0.004","665.97","0.19","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 Cl4 N4 O2 -","- C22 H40 Cl4 N4 O2 -","- C22 H40 Cl4 N4 O2 -","1","0.5","","Khandar, Ali Akbar; Kirschbaum, Kristin; Abedi, Marjan; Mock, Kristi; Tracy, Greg; Spasojevic, Vojislav; Hosseini-Yazdi, Seyed Abolfazl","Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(ii) complexes with a new tetraaza m-xylyl-based macrocyclic ligand","New J. Chem.","2015","39","4","2822","","10.1039/C4NJ01608D","","","0.71073","MoKα","","0.0411","0.0357","","","0.0889","0.0918","","","","","","1.074","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054645","4.8468","0.0008","9.2594","0.0016","12.245","0.002","69.536","0.007","89.567","0.007","85.993","0.007","513.51","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-19 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)2-COOH","","- C22 H22 N6 O4 -","- C22 H22 N6 O4 -","- C22 H22 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0624","0.0507","","","0.1279","0.14","","","","","","1.084","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054646","5.5146","0.0011","6.81","0.0014","15.254","0.003","79.288","0.006","85.259","0.006","75.952","0.005","545.62","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-20 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)4-COOH","","- C24 H26 N6 O4 -","- C24 H26 N6 O4 -","- C24 H26 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.0563","0.0467","","","0.1267","0.1358","","","","","","1.099","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054647","5.6196","0.0011","6.7825","0.0013","16.078","0.003","87.236","0.004","82.669","0.004","75.451","0.004","588.2","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-21 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)6-COOH","","- C26 H30 N6 O4 -","- C26 H30 N6 O4 -","- C26 H30 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.0519","0.0458","","","0.1235","0.1329","","","","","","1.014","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054648","5.632","0.0007","6.845","0.0008","17.748","0.002","93.63","0.007","98.988","0.007","104.67","0.007","649.97","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-22 1,1'-di[(3-pyridyl)methyl]-2,2'-biimidazole, HOOCH-(CH2)8-COOH","","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0658","0.055","","","0.182","0.1976","","","","","","1.544","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054649","5.6047","0.0008","6.8589","0.001","18.879","0.003","97.644","0.005","91.164","0.005","104.659","0.005","694.78","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-23 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)10-COOH","","- C30 H38 N6 O4 -","- C30 H38 N6 O4 -","- C30 H38 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0546","0.0523","","","0.1665","0.1716","","","","","","1.472","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054650","14.797","0.003","4.5097","0.0007","29.886","0.005","90","","104.056","0.008","90","","1934.6","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TW-2B-24-C 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)-COOH","","- C21 H20 N6 O4 -","- C21 H20 N6 O4 -","- C84 H80 N24 O16 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.1229","0.0652","","","0.1575","0.1937","","","","","","0.998","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054651","7.6142","0.0011","8.6608","0.0013","11.0348","0.0016","102.357","0.005","105.996","0.005","93.866","0.005","677.09","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-25-SE 1,1'-di[(4-pyridyl)methyl]-2,2'-biimidazole, (HOOC-(CH2)3-COOH)2","","- C28 H32 N6 O8 -","- C28 H32 N6 O8 -","- C28 H32 N6 O8 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.0471","0.0422","","","0.1184","0.1231","","","","","","0.973","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054652","5.0121","0.0005","7.8964","0.0008","15.1589","0.0016","78.403","0.004","88.333","0.004","72.636","0.003","560.62","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-2 1,1'-di[(2-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)4-COOH","","- C24 H26 N6 O4 -","- C24 H26 N6 O4 -","- C24 H26 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.0505","0.0434","","","0.1195","0.1317","","","","","","1.116","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054653","5.1024","0.001","8.0128","0.0015","16.497","0.003","99.94","0.009","93.967","0.01","108.231","0.008","625.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-3 1,1'-di[(2-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)6-COOH","","- C26 H30 N6 O4 -","- C26 H30 N6 O4 -","- C26 H30 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0548","0.0496","","","0.1457","0.158","","","","","","1.176","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054654","5.2731","0.0008","7.8464","0.0011","17.163","0.003","81.964","0.006","88.938","0.006","72.499","0.006","670.39","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-4 1,1'-di[(2-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)8-COOH","","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","- C28 H34 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0351","0.0327","","","0.0832","0.085","","","","","","1.06","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054655","5.2955","0.0008","7.8185","0.0013","18.424","0.003","85.042","0.01","83.543","0.01","71.912","0.01","719.4","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-5 1,1'-di[(2-pyridyl)methyl]-2,2'-biimidazole, HOOC-(CH2)10-COOH","","- C30 H38 N6 O4 -","- C30 H38 N6 O4 -","- C30 H38 N6 O4 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0528","0.0446","","","0.1244","0.1335","","","","","","1.1","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054656","4.9161","0.001","8.0077","0.0016","20.828","0.004","87.266","0.011","88.665","0.01","72.608","0.009","781.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","TW-2B-8-C 1,1'-di[(2-pyridyl)methyl]-2,2'-biimidazole, [HOOC-(CH2)5-COOH]2","","- C32 H40 N6 O8 -","- C32 H40 N6 O8 -","- C32 H40 N6 O8 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","0.71073","MoKα","","0.1768","0.0996","","","0.2355","0.2647","","","","","","1.286","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054657","11.4449","0.0017","8.9002","0.0015","21.338","0.003","90","","94.855","0.01","90","","2165.7","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","TW-2B-33 1,1'-di[(phenyl)methyl]-2,2'-biimidazole, HOOC-CH2-COOH","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C92 H88 N16 O16 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Molecular electrostatic potential dependent selectivity of hydrogen bonding","New J. Chem.","2015","39","2","822","","10.1039/C4NJ01324G","","","1.54178","CuKα","","0.0666","0.0417","","","0.1279","0.1494","","","","","","1.102","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054658","7.8846","0.0003","27.1172","0.0012","20.7714","0.0009","90","","90","","90","","4441.1","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cl F N4 O2 -","- C26 H20 Cl F N4 O2 -","- C208 H160 Cl8 F8 N32 O16 -","8","1","","Turkoglu, Gulsen; Berber, Halil; Kani, Ibrahim","Synthesis, crystal structure, optical and electrochemical properties of novel diphenylether-based formazan derivatives","New J. Chem.","2015","39","4","2728","","10.1039/C4NJ02353F","","","0.71073","MoKα","","0.1504","0.0522","","","0.1038","0.1506","","","","","","1.018","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054659","9.7435","0.0008","6.5523","0.0004","11.959","0.0012","90","","105.802","0.01","90","","734.64","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Rodríguez, Isabel; Calaza, M. Isabel; Jiménez, Ana I.; Cativiela, Carlos","Synthesis of enantiomerically pure δ-benzylproline derivatives","New J. Chem.","2015","39","5","3310","","10.1039/C4NJ01894J","","","0.71073","MoKα","","0.0848","0.059","","","0.1278","0.1465","","","","","","1.025","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054660","12.3453","0.0012","12.0038","0.0012","20.971","0.002","90","","90","","90","","3107.7","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 N O9 Zn -","- C11 H17 N O9 Zn -","- C88 H136 N8 O72 Zn8 -","8","1","","Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Zinc amidoisophthalate complexes and their catalytic application in the diastereoselective Henry reaction","New J. Chem.","2015","39","4","3004","","10.1039/C4NJ02371D","","","0.71073","MoKα","","0.0518","0.0422","","","0.1108","0.1186","","","","","","1.056","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054661","7.0755","0.0002","11.1714","0.0003","12.1991","0.0004","73.152","0.001","82.48","0.0009","72.042","0.001","877","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H21 N O11 Zn -","- C11 H21 N O11 Zn -","- C22 H42 N2 O22 Zn2 -","2","1","","Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Zinc amidoisophthalate complexes and their catalytic application in the diastereoselective Henry reaction","New J. Chem.","2015","39","4","3004","","10.1039/C4NJ02371D","","","0.71073","MoKα","","0.0537","0.0467","","","0.1198","0.1258","","","","","","1.091","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054662","5.2989","0.0005","15.3102","0.0012","19.3432","0.0017","90","","90","","90","","1569.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O7 Zn -","- C15 H13 N O7 Zn -","- C60 H52 N4 O28 Zn4 -","4","1","","Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Zinc amidoisophthalate complexes and their catalytic application in the diastereoselective Henry reaction","New J. Chem.","2015","39","4","3004","","10.1039/C4NJ02371D","","","0.71073","MoKα","","0.0343","0.0337","","","0.0883","0.0893","","","","","","1.063","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054663","8.9796","0.0017","10.1531","0.0016","10.6054","0.0018","89.721","0.007","77.398","0.007","71.835","0.006","894.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O9 Zn -","- C15 H17 N O9 Zn -","- C30 H34 N2 O18 Zn2 -","2","1","","Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Zinc amidoisophthalate complexes and their catalytic application in the diastereoselective Henry reaction","New J. Chem.","2015","39","4","3004","","10.1039/C4NJ02371D","","","0.71073","MoKα","","0.0619","0.0405","","","0.094","0.103","","","","","","1.056","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054664","13.5334","0.0006","12.3004","0.0008","28.098","0.002","90","","102.177","0.006","90","","4572.1","0.5","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br N3 O -","- C11 H10 Br N3 O -","- C176 H160 Br16 N48 O16 -","16","4","","Bustos, Carlos; Molins, Elies; Cárcamo, Juan-Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno-Villoslada, Ignacio; Nishide, Hiroyuki; Mesías-Salazar, Angela; Zarate, Ximena; Schott, Eduardo","New 3,4,5-trisubstituted isoxazole derivatives with potential biological properties","New J. Chem.","2015","39","6","4295","","10.1039/C4NJ02427C","","","0.71073","MoKα","","0.1773","0.0789","","","0.1448","0.179","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054665","11.765","0.004","11.314","0.006","17.774","0.012","90","","95.75","0.04","90","","2354","2","294","2","294","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C88 H80 N32 O24 -","8","1","","Bustos, Carlos; Molins, Elies; Cárcamo, Juan-Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno-Villoslada, Ignacio; Nishide, Hiroyuki; Mesías-Salazar, Angela; Zarate, Ximena; Schott, Eduardo","New 3,4,5-trisubstituted isoxazole derivatives with potential biological properties","New J. Chem.","2015","39","6","4295","","10.1039/C4NJ02427C","","x-ray","0.71073","MoKα","","0.1436","0.0576","","","0.1374","0.1615","","","","","","1.017","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054666","5.0508","0.0003","33.692","0.002","8.9618","0.0006","90","","100.081","0.006","90","","1501.5","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O S2 -","- C16 H16 N2 O S2 -","- C64 H64 N8 O4 S8 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.1159","0.0629","","","0.1315","0.1606","","","","","","0.935","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054667","14.489","0.002","7.1442","0.001","21.09","0.003","90","","91.518","0.006","90","","2182.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Mo N2 O4 S2 -","- C20 H22 Mo N2 O4 S2 -","- C80 H88 Mo4 N8 O16 S8 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.0461","0.0324","","","0.0982","0.114","","","","","","0.831","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054668","9.7755","0.0008","10.9369","0.0009","12.4981","0.001","99.619","0.003","96.272","0.003","90.833","0.004","1308.81","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 Cl3 Mo N4 O3 S2 -","- C21 H21 Cl3 Mo N4 O3 S2 -","- C42 H42 Cl6 Mo2 N8 O6 S4 -","2","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.0522","0.0478","","","0.1629","0.1718","","","","","","1.022","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054669","14.272","0.004","11.291","0.003","14.874","0.004","90","","102.868","0.003","90","","2336.7","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Mo N4 O3 S2 -","- C22 H22 Mo N4 O3 S2 -","- C88 H88 Mo4 N16 O12 S8 -","4","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.1051","0.0503","","","0.0982","0.117","","","","","","0.986","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054670","7.505","0.003","13.022","0.005","14.463","0.005","106.162","0.004","101.97","0.004","105.956","0.004","1242.1","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.33 H24.96 Mo N3 O4 S2 -","- C23.32 H24.96 Mo N3 O3.99 S2 -","- C46.64 H49.92 Mo2 N6 O7.98 S4 -","2","1","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.0691","0.0471","","","0.1426","0.1742","","","","","","0.849","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054671","11.2231","0.0005","14.2627","0.0007","14.4636","0.0007","103.729","0.004","97.022","0.004","106.223","0.004","2114.93","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Mo N3 O3 S2 -","- C21 H19 Mo N3 O3 S2 -","- C84 H76 Mo4 N12 O12 S8 -","4","2","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan","Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study","New J. Chem.","2015","39","4","2778","","10.1039/C4NJ02225D","","","0.71073","MoKα","","0.0459","0.0349","","","0.0785","0.0848","","","","","","1.004","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054672","14.8304","0.0011","19.0315","0.0014","12.5878","0.0009","90","","94.618","0.005","90","","3541.3","0.4","223","2","223","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","zwx","","","- C42 H80 N24 O28 -","- C42 H46 N24 O12 -","- C84 H92 N48 O24 -","2","0.25","","Zhao, Wenxuan; Wang, Chuanzeng; Zhang, Yunqian; Xue, Saifeng; Zhu, Qianjiang; Tao, Zhu","Supramolecular assembly of a methyl-substituted cucurbit[6]uril and its potential applications in selective sorption","New J. Chem.","2015","39","4","2433","","10.1039/C5NJ00255A","","","0.71073","MoKα","","0.1283","0.0837","","","0.2677","0.2994","","","","","","0.952","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054673","13.3215","0.001","12.3215","0.0009","16.7717","0.0012","90","","90","","90","","2752.9","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Cu2 N10 O6 S2 -","- C24 H18 Cu2 N10 O6 S2 -","- C96 H72 Cu8 N40 O24 S8 -","4","0.5","","Hazra, Susanta; Karmakar, Anirban; Guedes da Silva, Maria de Fátima C.; Dlháň, L'ubor; Boča, Roman; Pombeiro, Armando J. L.","Sulfonated Schiff base dinuclear and polymeric copper(ii) complexes: crystal structures, magnetic properties and catalytic application in Henry reaction","New J. Chem.","2015","39","5","3424","","10.1039/C5NJ00330J","","","0.71069","MoKα","","0.0472","0.0366","","","0.0946","0.0989","","","","","","1.11","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054674","7.2488","0.0004","8.5638","0.0004","13.1244","0.0007","83.205","0.002","89.661","0.003","70.551","0.002","762.35","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cu2 N6 O6 S4 -","- C26 H18 Cu2 N6 O6 S4 -","- C26 H18 Cu2 N6 O6 S4 -","1","0.5","","Hazra, Susanta; Karmakar, Anirban; Guedes da Silva, Maria de Fátima C.; Dlháň, L'ubor; Boča, Roman; Pombeiro, Armando J. L.","Sulfonated Schiff base dinuclear and polymeric copper(ii) complexes: crystal structures, magnetic properties and catalytic application in Henry reaction","New J. Chem.","2015","39","5","3424","","10.1039/C5NJ00330J","","","0.71073","MoKα","","0.0563","0.0482","","","0.1219","0.1283","","","","","","1.085","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054675","8.5179","0.0006","15.1779","0.0007","12.2602","0.001","90","","92.219","0.003","90","","1583.86","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cu N5 O4 S -","- C14 H11 Cu N5 O4 S -","- C56 H44 Cu4 N20 O16 S4 -","4","1","","Hazra, Susanta; Karmakar, Anirban; Guedes da Silva, Maria de Fátima C.; Dlháň, L'ubor; Boča, Roman; Pombeiro, Armando J. L.","Sulfonated Schiff base dinuclear and polymeric copper(ii) complexes: crystal structures, magnetic properties and catalytic application in Henry reaction","New J. Chem.","2015","39","5","3424","","10.1039/C5NJ00330J","","","0.71069","MoKα","","0.0575","0.0438","","","0.1066","0.1119","","","","","","1.102","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054676","17.8522","0.0018","10.6611","0.0014","19.9365","0.0012","90","","106.854","0.002","90","","3631.4","0.6","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Dy F12 N5 Ni O11 -","- C29 H28 Dy F12 N5 Ni O11 -","- C116 H112 Dy4 F48 N20 Ni4 O44 -","4","1","","Lu, Xing-Yun; Liu, Yu-Qing; Deng, Xiao-Wei; Zhu, Zhao-Xia; Yao, Min-Xia; Jing, Su","Synthesis, structures and magnetism of heterodinuclear Ni‒Ln complexes: field-induced single-molecule magnet behavior in the dysprosium analogue","New J. Chem.","2015","39","5","3467","","10.1039/C4NJ02162B","","","0.71073","MoKα","","0.0646","0.0602","","","0.15","0.1512","","","","","","1.076","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054677","18.351","0.003","10.8682","0.0015","19.911","0.003","90","","106.184","0.002","90","","3813.7","1","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 F12 Gd N5 Ni O11 -","- C29 H28 F12 Gd N5 Ni O11 -","- C116 H112 F48 Gd4 N20 Ni4 O44 -","4","1","","Lu, Xing-Yun; Liu, Yu-Qing; Deng, Xiao-Wei; Zhu, Zhao-Xia; Yao, Min-Xia; Jing, Su","Synthesis, structures and magnetism of heterodinuclear Ni‒Ln complexes: field-induced single-molecule magnet behavior in the dysprosium analogue","New J. Chem.","2015","39","5","3467","","10.1039/C4NJ02162B","","","0.71073","MoKα","","0.0671","0.0591","","","0.1517","0.1527","","","","","","1.062","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054678","17.8821","0.0014","10.8892","0.0011","20.0534","0.0018","90","","106.038","0.002","90","","3752.9","0.6","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 F12 N5 Ni O11 Tb -","- C29 H28 F12 N5 Ni O11 Tb -","- C116 H112 F48 N20 Ni4 O44 Tb4 -","4","1","","Lu, Xing-Yun; Liu, Yu-Qing; Deng, Xiao-Wei; Zhu, Zhao-Xia; Yao, Min-Xia; Jing, Su","Synthesis, structures and magnetism of heterodinuclear Ni‒Ln complexes: field-induced single-molecule magnet behavior in the dysprosium analogue","New J. Chem.","2015","39","5","3467","","10.1039/C4NJ02162B","","","0.71073","MoKα","","0.0603","0.0543","","","0.133","0.1336","","","","","","1.086","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054679","23.852","0.003","13.2551","0.0017","41.053","0.006","90","","104.55","0.002","90","","12563","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H49 F9 N9 O8 Yb Zn -","- C61 H44 F9 N9 O8 Yb Zn -","- C488 H352 F72 N72 O64 Yb8 Zn8 -","8","1","","Yu, Chao; Zhang, Zhao; Liu, Lin; Li, Hongyan; He, Yani; Lü, Xingqiang; Wong, Wai-Kwok; Jones, Richard A.","PMMA-supported hybrid materials doped with highly near-infrared (NIR) luminescent complexes [Zn(L1)(Py)Ln(L2)3] (Ln = Nd, Yb or Er)","New J. Chem.","2015","39","5","3698","","10.1039/C4NJ02373K","","","0.71073","MoKα","","0.0954","0.0613","","","0.1431","0.158","","","","","","1.018","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054680","12.0156","0.0017","12.0304","0.0017","13.4566","0.0019","90","","102.37","0.003","90","","1900","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 I N2 Pt -","- C17 H27 I N2 Pt -","- C68 H108 I4 N8 Pt4 -","4","1","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0184","0.0146","","","0.0344","0.0359","","","","","","1.079","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054681","11.1252","0.0004","12.8648","0.0005","12.2536","0.0003","90","","98.742","0.002","90","","1733.4","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 I N2 Pt -","- C15 H23 I N2 Pt -","- C60 H92 I4 N8 Pt4 -","4","1","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.022","0.0189","","","0.0398","0.041","","","","","","1.079","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054682","9.7124","0.0005","10.2867","0.0005","10.3892","0.0005","70.911","0.003","66.286","0.003","73.069","0.003","882.64","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 I N4 Pt -","- C15 H17 I N4 Pt -","- C30 H34 I2 N8 Pt2 -","2","1","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0235","0.0215","","","0.0508","0.0514","","","","","","1.049","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054683","8.88211","0.00018","12.088","0.0002","22.6364","0.0005","90","","99.0938","0.0019","90","","2399.85","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 I2 N4 Pt2 -","- C18 H26 I2 N4 Pt2 -","- C72 H104 I8 N16 Pt8 -","4","1","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0339","0.0302","","","0.0649","0.0669","","","","","","1.042","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054684","8.0595","0.0002","11.2505","0.0003","13.6434","0.0004","90","","106.09","0.003","90","","1188.63","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 I2 N4 Pt2 -","- C18 H26 I2 N4 Pt2 -","- C36 H52 I4 N8 Pt4 -","2","0.5","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0349","0.0331","","","0.0868","0.0887","","","","","","1.064","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054685","10.407","0.0009","11.7649","0.0006","20.7823","0.0017","90","","98.377","0.01","90","","2517.4","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 I2 N2 O2 Pt2 -","- C18 H32 I2 N2 O2 Pt2 -","- C72 H128 I8 N8 O8 Pt8 -","4","1","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0334","0.0232","","","0.0493","0.0512","","","","","","0.928","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054686","10.7003","0.001","12.7871","0.0009","18.4091","0.0017","90","","90","","90","","2518.8","0.4","193","2","193","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C20 H36 I2 N2 Pt2 -","- C20 H36 I2 N2 Pt2 -","- C80 H144 I8 N8 Pt8 -","4","0.5","","Ghosh, Biswa Nath; Lentz, Dieter; Schlecht, Sabine","Substituent effects in solution speciation of the mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of pyridines","New J. Chem.","2015","39","5","3536","","10.1039/C4NJ02426E","","","0.71073","MoKα","","0.0384","0.0351","","","0.0925","0.0947","","","","","","1.05","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054687","8.999","0.004","14.013","0.006","14.873","0.006","66.19","0.02","75.21","0.03","73.6","0.02","1624.6","1.2","296","2","296","2","","","","","","","","4","P 1","P 1","1","Boc-[Aib-R-Gamma-Leu]2-OMe","t-Butyloxycarbonyl-[alanyl-R-gamma-leucyl]2-methyl ester","","- C28 H52 N4 O7 -","- C28 H52 N4 O7 -","- C56 H104 N8 O14 -","2","2","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.3763","0.0801","","","0.1281","0.2271","","","","","","0.849","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054688","10.6075","0.0003","10.735","0.0003","19.1418","0.0006","90","","105.348","0.002","90","","2101.97","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Leu-R-Gamma-Leu]2-OMe","t-Butyloxycarbonyl-[Leucyl-R-gamma-Leucyl]2-methyl ester","","- C34 H64 N4 O9 -","- C34 H64 N4 O9 -","- C68 H128 N8 O18 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.0893","0.06","","","0.1604","0.1812","","","","","","1.095","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054689","9.5742","0.0002","10.8563","0.0003","28.0245","0.0007","90","","93.811","0.002","90","","2906.44","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Leu-Val-DPro-Gly-Leu-Val-Val-OMe","t-Butyloxycarbonyl-Leucyl-Leucyl-Valyl-D-Prolyl-Glycyl-Leucyl-Valyl-Valyl-methyl ester","","- C49 H88 N8 O12 -","- C49 H88 N8 O12 -","- C98 H176 N16 O24 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.0612","0.0577","","","0.17","0.1762","","","","","","1.128","","","","has coordinates,has disorder","180100","2020-10-21","18:00:00",""
"7054690","5.0768","0.0011","8.924","0.002","25.12","0.006","98.67","0.013","94.399","0.014","99.374","0.014","1104","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","Boc-[Gamma-R-Leu]2-Delta-R-Leu-Gamma-R-Leu-OMe","t-Butyloxycarbonyl-[R-gamma-Leucyl]2-R-delta-Leucyl-R-gamma-Leucyl-methyl ester","","- C39 H74 N4 O7 -","- C39 H74 N4 O7 -","- C39 H74 N4 O7 -","1","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.1583","0.0701","","","0.1818","0.2308","","","","","","0.994","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054691","5.0056","0.0014","15.829","0.004","20.317","0.005","90","","93.452","0.018","90","","1606.9","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Gamma-R-Val]3-NHMe","t-Butyloxycarbonyl-[R-gamma-valyl]3-N-methyl amide","","- C27 H52 N4 O5 -","- C27 H52 N4 O5 -","- C54 H104 N8 O10 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.3121","0.1433","","","0.3135","0.3742","","","","","","1.087","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054692","5.1643","0.0002","30.0027","0.0011","7.5724","0.0003","90","","94.261","0.002","90","","1170.05","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Gamma-R-Val]2-OMe","t-Butyloxycarbonyl-[gamma-R-Valyl]2-methyl ester","","- C20 H38 N2 O5 -","- C20 H38 N2 O5 -","- C40 H76 N4 O10 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.0765","0.0622","","","0.1756","0.2106","","","","","","1.074","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054693","5.1182","0.0003","50.153","0.003","7.4046","0.0004","90","","97.675","0.004","90","","1883.68","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Gamma-R-Val]4-OMe","t-Butyloxycarbonyl-[R-gamma-Valyl]4-methyl ester","","- C34 H64 N4 O7 -","- C34 H64 N4 O7 -","- C68 H128 N8 O14 -","2","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.1048","0.0956","","","0.2571","0.274","","","","","","1.195","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054694","28.9383","0.0008","5.1419","0.0001","18.4128","0.0005","90","","120.323","0.001","90","","2364.96","0.11","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","Boc-Gamma-S-Val-Gamma-R-Val-OMe","t-Butyloxycarbonyl-gamma-S-Valyl-gamma-R-Valyl-methyl ester","","- C20 H38 N2 O5 -","- C20 H38 N2 O5 -","- C80 H152 N8 O20 -","4","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","1.54178","CuKα","","0.0522","0.0499","","","0.1485","0.1496","","","","","","1.143","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054695","9.901","0.002","10.527","0.003","10.553","0.002","100.403","0.012","106.665","0.013","93.047","0.014","1029.9","0.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","Boc-[Aib-S-Gamma-Val]2-OMe","t-Butyloxycarbonyl-[alpha Amino isobutyryl-S-gamma-leucyl]2-methyl ester","","- C33 H63 N5 O8 -","- C33 H63 N5 O8 -","- C33 H63 N5 O8 -","1","1","","M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.","Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences","New J. Chem.","2015","39","5","3319","","10.1039/C5NJ00132C","","","0.71073","MoKα","","0.2325","0.0856","","","0.2109","0.2875","","","","","","0.905","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054696","18.57","0.0014","10.3191","0.0007","17.2851","0.0014","90","","133.39","0.005","90","","2407","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,2'-(ethylenedioxy)bis-(ethylamine))Cadmium(II) tetracyano palladate (II)","","- C16 H32 Cd N8 O4 Pd -","- C16 H32 Cd N8 O4 Pd -","- C64 H128 Cd4 N32 O16 Pd4 -","4","0.5","","Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer","Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations","New J. Chem.","2015","39","5","3675","","10.1039/C5NJ00071H","","","0.71073","MoKα","","0.0437","0.0403","","","0.097","0.0993","","","","","","1.1","","","","has coordinates","209363","2020-10-21","18:00:00",""
"7054697","11.463","0.001","8.9492","0.0008","14.7436","0.0013","90","","90","","90","","1512.5","0.2","293","2","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2,2'-(ethylenedioxy)bis-(ethylamine))zinc(II) tetracyanidonickelate(II)","","- C10 H16 N6 Ni O2 Zn -","- C10 H16 N6 Ni O2 Zn -","- C40 H64 N24 Ni4 O8 Zn4 -","4","0.5","","Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer","Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations","New J. Chem.","2015","39","5","3675","","10.1039/C5NJ00071H","","","0.71073","MoKα","","0.0439","0.0349","","","0.0823","0.0863","","","","","","1.069","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054698","10.8081","0.0005","10.4606","0.0004","14.2364","0.0005","90","","107.209","0.003","90","","1537.5","0.11","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-(ethylenedioxy)bis-(ethylamine))cadmium(II) tetracyanonickelate(II)","","- C10 H16 Cd N6 Ni O2 -","- C10 H16 Cd N6 Ni O2 -","- C40 H64 Cd4 N24 Ni4 O8 -","4","0.5","","Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer","Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations","New J. Chem.","2015","39","5","3675","","10.1039/C5NJ00071H","","","0.71073","MoKα","","0.0185","0.018","","","0.0408","0.041","","","","","","1.231","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054699","9.6656","0.0004","14.9615","0.0004","17.9211","0.0005","90","0.005","90","0.005","90","0.005","2591.6","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Cd N8 Ni O6 -","- C16 H36 Cd N8 Ni O6 -","- C64 H144 Cd4 N32 Ni4 O24 -","4","1","","Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer","Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations","New J. Chem.","2015","39","5","3675","","10.1039/C5NJ00071H","","x-ray","0.71073","MoKα","","0.0342","0.0291","","","0.0616","0.0644","","","","","","1.07","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054700","8.5367","0.0006","8.8067","0.0006","10.1596","0.0007","106.505","0.006","92.538","0.006","97.889","0.006","722.6","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Be2 N4 O6 -","- C32 H32 Be2 N4 O6 -","- C32 H32 Be2 N4 O6 -","1","0.5","","Reglinski, John; Kennedy, Alan R.; Steel, Graham","Tetradentate Schiff base beryllium complexes","New J. Chem.","2015","39","4","2437","","10.1039/C4NJ01949K","","","0.71073","MoKα","","0.0485","0.0361","","","0.0869","0.0934","","","","","","1.028","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054701","7.6771","0.001","17.9229","0.001","11.3182","0.0012","90","","98.385","0.014","90","","1540.7","0.3","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 Be N2 O2 -","- C18 H18 Be N2 O2 -","- C72 H72 Be4 N8 O8 -","4","1","","Reglinski, John; Kennedy, Alan R.; Steel, Graham","Tetradentate Schiff base beryllium complexes","New J. Chem.","2015","39","4","2437","","10.1039/C4NJ01949K","","","0.71073","MoKα","","0.0603","0.0445","","","0.0847","0.0931","","","","","","1.039","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054702","7.4296","0.0005","19.375","0.002","22.676","0.0018","90","","90","","90","","3264.2","0.5","298","2","298","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C144 H128 N16 O16 S8 -","8","1","","Salahifar, Eslam; Nematollahi, Davood","Electrochemical generation of a Michael acceptor: a green method for the synthesis of 4-amino-3-(phenylsulfonyl)diphenylamine derivatives","New J. Chem.","2015","39","5","3852","","10.1039/C5NJ00087D","","","0.71073","MoKα","","0.2351","0.0882","","","0.1063","0.145","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054703","10.1735","0.0011","14.3043","0.001","11.2897","0.0009","90","","96.376","0.008","90","","1632.8","0.2","292.34","0.1","292.34","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Quinolinone","3,7,7-trimethyl-4-phenyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5(4H)-one","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","","Singh, Nongthombam Geetmani; Nagarajaprakash, Rammamorthy; Rani, Jims World Star; Kathing, Chingrishon; Nongrum, Ridaphun; Nongkhlaw, Rishanlang","Nickel nanoparticles assisted regioselective synthesis of pyrazoloquinolinone and triazoloquinazolinone derivatives","New J. Chem.","2015","39","5","3908","","10.1039/C4NJ02372B","","","0.71073","MoKα","","0.1132","0.0588","","","0.1376","0.1646","","","","","","0.964","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054704","6.0023","0.0011","12.317","0.002","12.46","0.002","67.981","0.017","77.245","0.015","80.977","0.015","830.1","0.3","291.9","0.9","291.9","0.9","","","","","","","","5","P -1","-P 1","2","Quinazolinone","9-(4-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C34 H34 Cl2 N8 O2 -","2","1","","Singh, Nongthombam Geetmani; Nagarajaprakash, Rammamorthy; Rani, Jims World Star; Kathing, Chingrishon; Nongrum, Ridaphun; Nongkhlaw, Rishanlang","Nickel nanoparticles assisted regioselective synthesis of pyrazoloquinolinone and triazoloquinazolinone derivatives","New J. Chem.","2015","39","5","3908","","10.1039/C4NJ02372B","","","0.7107","MoKα","","0.084997","0.053494","","","","0.140108","","","","","","1.03577","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054707","12.3263","0.0001","20.7018","0.0002","18.2517","0.0002","90","","91.642","0.001","90","","4655.49","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H90 N16 O19 Pb2 Tb -","- C102 H90 N16 O19 Pb2 Tb -","- C204 H180 N32 O38 Pb4 Tb2 -","2","0.5","","Pan, Mei; Yan, Cheng; Chen, Ling; Zhang, Lu-Yin; Yin, Shao-Yun; Zhu, Yi-Xuan; Wu, Kai; Hou, Ya-Jun; Su, Cheng-Yong","Photoluminescence and white-light emission in two series of heteronuclear Pb(ii)‒Ln(iii) complexes","New J. Chem.","2015","39","5","3770","","10.1039/C5NJ00168D","","","1.54178","CuKα","","0.0433","0.04","","","0.1097","0.1139","","","","","","1.058","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054708","12.31597","0.00016","20.8623","0.0002","18.2267","0.0002","90","","91.689","0.0011","90","","4681.12","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H90 Eu N16 O19 Pb2 -","- C102 H90 Eu N16 O19 Pb2 -","- C204 H180 Eu2 N32 O38 Pb4 -","2","0.5","","Pan, Mei; Yan, Cheng; Chen, Ling; Zhang, Lu-Yin; Yin, Shao-Yun; Zhu, Yi-Xuan; Wu, Kai; Hou, Ya-Jun; Su, Cheng-Yong","Photoluminescence and white-light emission in two series of heteronuclear Pb(ii)‒Ln(iii) complexes","New J. Chem.","2015","39","5","3770","","10.1039/C5NJ00168D","","","1.54184","CUKα","","0.0412","0.0361","","","0.109","0.1162","","","","","","0.883","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054709","11.7061","0.0005","13.0527","0.0004","17.955","0.0008","87.73","0.003","88.01","0.004","89.886","0.003","2739.65","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H100 N20 O28 Pb Tb2 -","- C108 H100 N20 O28 Pb Tb2 -","- C108 H100 N20 O28 Pb Tb2 -","1","0.5","","Pan, Mei; Yan, Cheng; Chen, Ling; Zhang, Lu-Yin; Yin, Shao-Yun; Zhu, Yi-Xuan; Wu, Kai; Hou, Ya-Jun; Su, Cheng-Yong","Photoluminescence and white-light emission in two series of heteronuclear Pb(ii)‒Ln(iii) complexes","New J. Chem.","2015","39","5","3770","","10.1039/C5NJ00168D","","","1.54178","CuKα","","0.0451","0.041","","","0.1074","0.1119","","","","","","1.079","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054710","11.0785","0.0012","11.9068","0.0013","16.6733","0.0018","76.422","0.002","75.205","0.002","79.014","0.002","2047","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H42 Cl2 N8 O10 Ru S -","- C36 H42 Cl2.001 N8 O10 Ru S -","- C72 H84 Cl4.002 N16 O20 Ru2 S2 -","2","1","","Bhat, Satish S.; Revankar, Vidyanand K.; Khan, Ayesha; Butcher, Raymond J.; Thatipamula, Krishnachary","Supramolecular architecture and photophysical and biological properties of ruthenium(ii) polypyridyl complexes","New J. Chem.","2015","39","5","3646","","10.1039/C4NJ02394C","","","0.71073","MoKα","","0.0951","0.0786","","","0.1781","0.1863","","","","","","1.112","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054711","10.6473","0.0019","19.752","0.004","13.407","0.0016","90","","113.396","0.01","90","","2587.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cu Mo4 N6 O14 -","- C18 H15 Cu Mo4 N6 O14 -","- C72 H60 Cu4 Mo16 N24 O56 -","4","1","","Li, Shaobin; Zhang, Li; Ma, Huiyuan; Pang, Haijun; Zhao, Chunyan","Tuning the topology structures of polymolybdate-based hybrids from interpenetrated framework to interdigitated architecture via changing polymolybdate clusters","New J. Chem.","2015","39","5","3528","","10.1039/C5NJ00238A","","","0.71073","MoKα","","0.1045","0.0553","","","0.0995","0.1145","","","","","","1.03","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054712","11.158","0.005","12.946","0.005","13.292","0.005","97.478","0.005","112.381","0.005","104.018","0.005","1668.8","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 Cu Mo12 N12 O44 P -","- C36 H36 Cu Mo12 N12 O44 P -","- C36 H36 Cu Mo12 N12 O44 P -","1","0.5","","Li, Shaobin; Zhang, Li; Ma, Huiyuan; Pang, Haijun; Zhao, Chunyan","Tuning the topology structures of polymolybdate-based hybrids from interpenetrated framework to interdigitated architecture via changing polymolybdate clusters","New J. Chem.","2015","39","5","3528","","10.1039/C5NJ00238A","","","0.71069","MoKα","","0.0994","0.0716","","","0.1931","0.2236","","","","","","1.024","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054713","10.9784","0.0009","14.048","0.0011","14.5469","0.0012","110.234","0.002","107.408","0.001","102.658","0.001","1873.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Cu4 Mo12 N16 O42 Si -","- C48 H40 Cu4 Mo12 N16 O42 Si -","- C48 H40 Cu4 Mo12 N16 O42 Si -","1","0.5","","Li, Shaobin; Zhang, Li; Ma, Huiyuan; Pang, Haijun; Zhao, Chunyan","Tuning the topology structures of polymolybdate-based hybrids from interpenetrated framework to interdigitated architecture via changing polymolybdate clusters","New J. Chem.","2015","39","5","3528","","10.1039/C5NJ00238A","","","0.71073","MoKα","","0.0902","0.0534","","","0.0944","0.1073","","","","","","1.041","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054714","5.0156","0.0005","6.9262","0.0009","7.0836","0.0008","112.956","0.012","97.227","0.01","107.388","0.011","207.85","0.05","118","2","118","2","","","","","","","","3","P -1","-P 1","2","0D-118","But-2-ynoic acid triclinic polymorph","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0784","0.0538","","","0.1368","0.163","","","","","","1.052","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054715","5.0359","0.0009","6.9758","0.0013","7.1152","0.0013","112.963","0.018","97.033","0.016","107.706","0.017","210.8","0.08","154","2","154","2","","","","","","","","3","P -1","-P 1","2","0D-154","But-2-ynoic acid triclinic polymorph","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0876","0.0575","","","0.1436","0.1719","","","","","","1.017","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054716","5.058","0.0009","7.0169","0.0017","7.1325","0.0015","112.92","0.02","96.962","0.017","108.002","0.019","213.14","0.1","190","2","190","2","","","","","","","","3","P -1","-P 1","2","0D-190","","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.1055","0.064","","","0.1663","0.2136","","","","","","1.065","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054717","5.0673","0.0008","7.0638","0.0013","7.163","0.0009","113.064","0.016","96.689","0.012","108.347","0.015","215.3","0.07","226","2","226","2","","","","","","","","3","P -1","-P 1","2","0D-226","But-2-ynoic acid triclinic polymorph","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0997","0.0605","","","0.1695","0.2071","","","","","","1.081","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054718","3.9158","0.0011","7.1104","0.001","7.871","0.003","90","","100.59","0.03","90","","215.42","0.11","262","2","262","2","","","","","","","","3","P 1 21 1","P 2yb","4","0D-262","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.1392","0.0633","","","0.1602","0.1981","","","","","","1.099","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054719","3.8248","0.0008","7.0987","0.0007","7.7801","0.0009","90","","101.058","0.015","90","","207.32","0.05","118","2","118","2","","","","","","","","3","P 1 21 1","P 2yb","4","","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0449","0.04","","","0.0929","0.0973","","","","","","1.09","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054720","3.8518","0.0005","7.0956","0.0005","7.7924","0.0009","90","","100.862","0.012","90","","209.16","0.04","154","2","154","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-154","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","x-ray","0.71073","MoKα","","0.0526","0.0426","","","0.0944","0.1019","","","","","","1.086","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054721","3.8856","0.0013","7.1138","0.0012","7.8353","0.0016","90","","100.93","0.03","90","","212.65","0.09","190","2","190","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-190","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","x-ray","0.71073","MoKα","","0.0558","0.0436","","","0.1003","0.1079","","","","","","1.04","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054722","3.8912","0.001","7.1141","0.0012","7.8453","0.0016","90","","100.8","0.02","90","","213.33","0.08","226","2","226","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-226","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0615","0.0464","","","0.1004","0.1123","","","","","","1.044","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054723","3.9127","0.0007","7.1074","0.0008","7.8489","0.0011","90","","100.422","0.016","90","","214.67","0.06","262","2","262","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-262","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","x-ray","0.71073","MoKα","","0.0679","0.046","","","0.1033","0.1229","","","","","","1.075","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054724","3.9417","0.0012","7.1096","0.0018","7.878","0.003","90","","100.25","0.03","90","","217.25","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","1D-298","But-2-ynoic acid","","- C4 H4 O2 -","- C4 H4 O2 -","- C8 H8 O4 -","2","1","","Saraswatula, Viswanadha G.; Bhattacharya, Suman; Saha, Binoy K.","Can the thermal expansion be controlled by varying the hydrogen bond dimensionality in polymorphs?","New J. Chem.","2015","39","5","3345","","10.1039/C5NJ00196J","","","0.71073","MoKα","","0.0992","0.0513","","","0.0987","0.1218","","","","","","1.012","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054725","8.9476","0.0008","10.2758","0.0009","12.1482","0.0011","98.043","0.004","95.114","0.004","110.648","0.004","1023.3","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","phthalonitrile","","","- C20 H28 N2 O S2 -","- C20 H28 N2 O S2 -","- C40 H56 N4 O2 S4 -","2","1","","Tarakci, Deniz Kutlu; Berber, Savaş; Zorlu, Yunus; Atilla, Devrim; Ahsen, Vefa; Dumoulin, Fabienne","The synthesis of an octasubstituted monohydroxylated phthalocyanine designed to investigate the effect of the presence of active moieties","New J. Chem.","2015","39","5","3929","","10.1039/C5NJ00229J","","","0.71073","MoKα","","0.0557","0.0512","","","0.1429","0.1467","","","","","","1.059","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054726","8.8012","0.0005","13.0262","0.0008","25.0491","0.0015","90","","90","","90","","2871.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H15 N4 O6 P -","- C10 H15 N4 O6 P -","- C80 H120 N32 O48 P8 -","8","1","","Gholivand, Khodayar; Molaei, Foroogh","Synthesis and structural study of some new phosphorus(v) hydrazide compounds: spectroscopic evidence and a theoretical approach","New J. Chem.","2015","39","5","3747","","10.1039/C5NJ00135H","","","0.71073","MoKα","","0.0434","0.034","","","0.0871","0.0925","","","","","","1.062","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054727","5.757","0.0002","8.9928","0.0003","14.7059","0.0006","78.99","0.001","86.504","0.001","87.806","0.001","745.67","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N2 O5 P -","- C14 H15 N2 O5 P -","- C28 H30 N4 O10 P2 -","2","1","","Gholivand, Khodayar; Molaei, Foroogh","Synthesis and structural study of some new phosphorus(v) hydrazide compounds: spectroscopic evidence and a theoretical approach","New J. Chem.","2015","39","5","3747","","10.1039/C5NJ00135H","","","0.71073","MoKα","","0.0339","0.032","","","0.089","0.091","","","","","","1.041","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054728","12.2908","0.0007","7.0588","0.0004","17.6586","0.001","90","","109.425","0.001","90","","1444.82","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N4 O5 P -","- C10 H15 N4 O5 P -","- C40 H60 N16 O20 P4 -","4","1","","Gholivand, Khodayar; Molaei, Foroogh","Synthesis and structural study of some new phosphorus(v) hydrazide compounds: spectroscopic evidence and a theoretical approach","New J. Chem.","2015","39","5","3747","","10.1039/C5NJ00135H","","","0.71073","MoKα","","0.0394","0.0361","","","0.0826","0.0849","","","","","","1.001","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054731","12.2454","0.0014","14.3018","0.0016","14.9082","0.0017","71.876","0.002","69.05","0.003","71.933","0.003","2258.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 Cl Ni O3 P2 -","- C18 H31 Cl Ni O3 P2 -","- C72 H124 Cl4 Ni4 O12 P8 -","4","2","","García-Eleno, Marco A.; Padilla-Mata, Esteban; Estudiante-Negrete, Fabiola; Pichal-Cerda, Francisco; Hernández-Ortega, Simón; Toscano, Rubén A.; Morales-Morales, David","Single step, high yield synthesis of para-hydroxy functionalized POCOP ligands and their Ni(ii) pincer derivatives","New J. Chem.","2015","39","5","3361","","10.1039/C5NJ00052A","","","0.71073","MoKα","","0.0684","0.0458","","","0.1007","0.1118","","","","","","1.026","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054732","10.159","0.0011","20.23","0.002","13.9587","0.0015","90","","102.917","0.002","90","","2796.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H40 Cl2 Ni O3 P2 -","- C22.5 H40 Cl2 Ni O3 P2 -","- C90 H160 Cl8 Ni4 O12 P8 -","4","1","","García-Eleno, Marco A.; Padilla-Mata, Esteban; Estudiante-Negrete, Fabiola; Pichal-Cerda, Francisco; Hernández-Ortega, Simón; Toscano, Rubén A.; Morales-Morales, David","Single step, high yield synthesis of para-hydroxy functionalized POCOP ligands and their Ni(ii) pincer derivatives","New J. Chem.","2015","39","5","3361","","10.1039/C5NJ00052A","","","0.71073","MoKα","","0.07","0.0506","","","0.1141","0.1233","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054733","15.125","0.002","10.058","0.001","17.403","0.002","90","","90.493","0.002","90","","2647.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl Ni O3 P2 -","- C30 H23 Cl Ni O3 P2 -","- C120 H92 Cl4 Ni4 O12 P8 -","4","1","","García-Eleno, Marco A.; Padilla-Mata, Esteban; Estudiante-Negrete, Fabiola; Pichal-Cerda, Francisco; Hernández-Ortega, Simón; Toscano, Rubén A.; Morales-Morales, David","Single step, high yield synthesis of para-hydroxy functionalized POCOP ligands and their Ni(ii) pincer derivatives","New J. Chem.","2015","39","5","3361","","10.1039/C5NJ00052A","","","0.71073","MoKα","","0.063","0.0413","","","0.0808","0.0861","","","","","","0.886","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054734","8.0299","0.0015","27.236","0.005","15.128","0.003","90","","101.306","0.004","90","","3244.3","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 Cl Ni O4 P2 -","- C29 H43 Cl Ni O4 P2 -","- C116 H172 Cl4 Ni4 O16 P8 -","4","1","","García-Eleno, Marco A.; Padilla-Mata, Esteban; Estudiante-Negrete, Fabiola; Pichal-Cerda, Francisco; Hernández-Ortega, Simón; Toscano, Rubén A.; Morales-Morales, David","Single step, high yield synthesis of para-hydroxy functionalized POCOP ligands and their Ni(ii) pincer derivatives","New J. Chem.","2015","39","5","3361","","10.1039/C5NJ00052A","","","0.71073","MoKα","","0.1174","0.0525","","","0.0691","0.0817","","","","","","0.826","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054735","12.2454","0.0014","14.3018","0.0016","14.9082","0.0017","71.876","0.002","69.05","0.003","71.933","0.003","2258.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 Cl Ni O3 P2 -","- C18 H31 Cl Ni O3 P2 -","- C72 H124 Cl4 Ni4 O12 P8 -","4","2","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.0684","0.0458","","","0.1007","0.1118","","","","","","1.026","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054736","10.159","0.0011","20.23","0.002","13.9587","0.0015","90","","102.917","0.002","90","","2796.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H40 Cl2 Ni O3 P2 -","- C22.5 H40 Cl2 Ni O3 P2 -","- C90 H160 Cl8 Ni4 O12 P8 -","4","1","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.07","0.0506","","","0.1141","0.1233","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054737","15.125","0.002","10.058","0.001","17.403","0.002","90","","90.493","0.002","90","","2647.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl Ni O3 P2 -","- C30 H23 Cl Ni O3 P2 -","- C120 H92 Cl4 Ni4 O12 P8 -","4","1","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.063","0.0413","","","0.0808","0.0861","","","","","","0.886","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054738","8.0299","0.0015","27.236","0.005","15.128","0.003","90","","101.306","0.004","90","","3244.3","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 Cl Ni O4 P2 -","- C29 H43 Cl Ni O4 P2 -","- C116 H172 Cl4 Ni4 O16 P8 -","4","1","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.1174","0.0525","","","0.0691","0.0817","","","","","","0.826","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054739","6.7436","0.0003","8.14","0.0003","13.7971","0.0005","103.904","0.004","97.539","0.003","95.474","0.004","722.45","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N2 O8 V -","- C12 H13 N2 O8 V -","- C24 H26 N4 O16 V2 -","2","1","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","1.54184","CuKα","","0.0402","0.0395","","","0.1105","0.1114","","","","","","1.044","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054740","7.9144","0.0003","12.5749","0.0007","13.4045","0.0006","88.379","0.003","89.985","0.002","74.931","0.003","1287.63","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 N2 O6 V -","- C12 H9 N2 O6 V -","- C48 H36 N8 O24 V4 -","4","2","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.1365","0.0532","","","0.1162","0.1504","","","","","","0.964","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054741","7.8481","0.0002","6.421","0.0001","13.8887","0.0003","90","","95.055","0.002","90","","697.17","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H11 N2 O8 V -","- C12 H11 N2 O8 V -","- C24 H22 N4 O16 V2 -","2","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","1.54184","CuKα","","0.0335","0.0333","","","0.0913","0.0916","","","","","","1.089","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054742","8.1855","0.0002","6.5443","0.0002","13.8669","0.0003","90","","97.755","0.002","90","","736.03","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 N3 O7 V -","- C12 H12 N3 O7 V -","- C24 H24 N6 O14 V2 -","2","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","1.54184","CuKα","","0.0367","0.0362","","","0.1009","0.1018","","","","","","1.058","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054743","14.4966","0.0003","7.3713","0.0002","14.6252","0.0003","90","","118.696","0.001","90","","1370.88","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N3 O6 V -","- C12 H10 N3 O6 V -","- C48 H40 N12 O24 V4 -","4","1","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.0412","0.032","","","0.0866","0.0933","","","","","","1.063","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054744","8.1715","0.0001","29.4539","0.0005","6.6398","0.0001","90","","90","","90","","1598.08","0.04","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H16 N3 O7 V -","- C14 H16 N3 O7 V -","- C56 H64 N12 O28 V4 -","4","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.0429","0.0323","","","0.0825","0.0879","","","","","","1.054","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054745","9.3492","0.0009","12.426","0.0005","6.436","0.0007","90","","129.421","0.017","90","","577.59","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H8 N3 O6 V -","- C10 H8 N3 O6 V -","- C20 H16 N6 O12 V2 -","2","0.5","","Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc","Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives","New J. Chem.","2015","39","6","4265","","10.1039/C5NJ00164A","","","0.71073","MoKα","","0.0232","0.0226","","","0.0535","0.0548","","","","","","1.102","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054747","13.3088","0.0002","6.012","0.0001","19.833","0.0002","90","","108.647","0.0014","90","","1503.59","0.04","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((4-phenylpiperazin-1-yl)methyl)phenylboronic acid","","- C17 H21 B N2 O2 -","- C17 H21 B N2 O2 -","- C68 H84 B4 N8 O8 -","4","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","0.7107","MoKα","","0.0365","0.0345","","","0.0919","0.0931","","","","","","1.043","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054748","12.1978","0.0003","19.2053","0.0005","15.5424","0.0004","90","","96","0.003","90","","3621.05","0.16","100","2","100.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","2-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)phenylboronic acid","","- C18 H23 B N2 O3 -","- C18 H23 B N2 O3 -","- C144 H184 B8 N16 O24 -","8","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.5418","CuKα","","0.0458","0.0392","","","0.102","0.1059","","","","","","1.058","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054749","7.9155","0.0004","10.313","0.0004","11.8333","0.0007","88.456","0.004","72.897","0.005","69.37","0.004","860.88","0.08","120","2","120","","","","","","","","","6","P -1","-P 1","2","","2-((4-(2,3-dichlorophenyl)piperazin-1-yl)methyl)phenylboronic acid","","- C17 H19 B Cl2 N2 O2 -","- C17 H19 B Cl2 N2 O2 -","- C34 H38 B2 Cl4 N4 O4 -","2","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.54184","CuKα","","0.0502","0.0488","","","0.1264","0.129","","","","","","1.034","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054750","10.32568","0.00006","9.10656","0.0001","18.03844","0.00012","90","","90.7068","0.0006","90","","1696.05","0.02","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-((4-(4-nitrophenyl)piperazin-1-yl)methyl)phenylboronic acid","","- C17 H20 B N3 O4 -","- C17 H20 B N3 O4 -","- C68 H80 B4 N12 O16 -","4","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.5418","CuKα","","0.0372","0.0364","","","0.0976","0.0984","","","","","","1.062","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054751","12.87751","0.00017","10.18562","0.00012","10.36536","0.00014","90","","90","","90","","1359.58","0.03","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","2-((4-methylpiperazin-1-yl)methyl)phenylboronic acid","","- C12 H21 B N2 O3 -","- C12 H21 B N2 O3 -","- C48 H84 B4 N8 O12 -","4","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.5418","CuKα","","0.0381","0.0373","","","0.1052","0.1064","","","","","","1.089","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054752","24.60371","0.00016","11.76829","0.00007","17.52165","0.00011","90","","93.8287","0.0006","90","","5061.96","0.05","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((4-benzhydrylpiperazin-1-yl)methyl)phenylboronic acid","","- C27 H33 B N2 O3 -","- C27 H33 B N2 O3 -","- C216 H264 B8 N16 O24 -","8","2","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.5418","CuKα","","0.0386","0.0358","","","0.0888","0.0911","","","","","","1.027","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054753","10.1897","0.0005","10.3703","0.0005","10.5504","0.0005","90","","107.526","0.003","90","","1063.11","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cs6 O16 P4 Y2 -","- Cs6 O16 P4 Y2 -","- Cs12 O32 P8 Y4 -","2","1","","Wang, Ying; Lian, Zhipeng; Su, Xin; Yang, Zhihua; Pan, Shilie; Yan, Qingfeng; Zhang, Fangfang","Cs6RE2(PO4)4(RE = Y and Gd): two new members of the alkali rare-earth double phosphates","New J. Chem.","2015","39","6","4328","","10.1039/C5NJ00109A","","","0.71073","MoKα","","0.0327","0.0277","","","0.045","0.0468","","","","","","0.966","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054754","10.2819","0.0004","10.4257","0.0004","10.5785","0.0004","90","","107.649","0.002","90","","1080.6","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cs6 Gd2 O16 P4 -","- Cs6 Gd2 O16 P4 -","- Cs12 Gd4 O32 P8 -","2","1","","Wang, Ying; Lian, Zhipeng; Su, Xin; Yang, Zhihua; Pan, Shilie; Yan, Qingfeng; Zhang, Fangfang","Cs6RE2(PO4)4(RE = Y and Gd): two new members of the alkali rare-earth double phosphates","New J. Chem.","2015","39","6","4328","","10.1039/C5NJ00109A","","","0.71073","MoKα","","0.0264","0.0245","","","0.0531","0.0542","","","","","","1.067","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054755","9.0342","0.0018","8.2698","0.0017","11.623","0.002","90","","100.9","0.03","90","","852.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O10 Zn2 -","- C16 H14 N2 O10 Zn2 -","- C32 H28 N4 O20 Zn4 -","2","0.5","","Wang, Fengqin; Dong, Caifu; Wang, Chengmiao; Yu, Zongchao; Guo, Shukun; Wang, Zechuan; Zhao, Yongnan; Li, Guodong","Fluorescence detection of aromatic amines and photocatalytic degradation of rhodamine B under UV light irradiation by luminescent metal‒organic frameworks","New J. Chem.","2015","39","6","4437","","10.1039/C4NJ02356K","","","0.71073","MoKα","","0.0321","0.027","","","0.073","0.0747","","","","","","1.085","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054756","7.7683","0.0016","8.6089","0.0017","8.6695","0.0017","84.04","0.03","76.23","0.03","66.04","0.03","514.6","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 Cd N O7 -","- C8 H11 Cd N O7 -","- C16 H22 Cd2 N2 O14 -","2","1","","Wang, Fengqin; Dong, Caifu; Wang, Chengmiao; Yu, Zongchao; Guo, Shukun; Wang, Zechuan; Zhao, Yongnan; Li, Guodong","Fluorescence detection of aromatic amines and photocatalytic degradation of rhodamine B under UV light irradiation by luminescent metal‒organic frameworks","New J. Chem.","2015","39","6","4437","","10.1039/C4NJ02356K","","","0.71073","MoKα","","0.0244","0.0228","","","0.0598","0.0601","","","","","","1.069","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054757","7.4698","0.0015","9.5364","0.0019","18.73","0.004","90","","90.05","0.03","90","","1334.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H5 Cl4 N3 O2 -","- C11 H5 Cl4 N3 O2 -","- C44 H20 Cl16 N12 O8 -","4","1","","Poorfreidoni, Alireza; Ranjbar-Karimi, Reza; Kia, Reza","Regiochemistry of nucleophilic substitution of pentachloropyridine with N and O bidentate nucleophiles","New J. Chem.","2015","39","6","4398","","10.1039/C5NJ00418G","","","0.71073","MoKα","","0.0361","0.0278","","","0.0663","0.0676","","","","","","0.855","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054758","22.662","0.005","11.13","0.003","18.004","0.004","90","","134.54","0.02","90","","3236.7","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 B2 F8 Fe N6 S6 -","- C18 H30 B2 F7.92 Fe N6 S6 -","- C72 H120 B8 F31.68 Fe4 N24 S24 -","4","0.5","","Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola","Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands","New J. Chem.","2015","39","6","4716","","10.1039/C5NJ00425J","","","0.71073","MoKα","","0.17","0.0482","","","0.0592","0.0711","","","","","","0.974","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054759","9.978","0.001","12.495","0.001","17.672","0.002","90","","97.174","0.005","90","","2186","0.4","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 B Cl2 F4 Fe N4 O2 S2 -","- C12 H20 B Cl2 F4 Fe N4 O2 S2 -","- C48 H80 B4 Cl8 F16 Fe4 N16 O8 S8 -","4","1","","Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola","Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands","New J. Chem.","2015","39","6","4716","","10.1039/C5NJ00425J","","","0.71073","MoKα","","0.0473","0.0331","","","0.086","0.0899","","","","","","1.004","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054760","9.59","0.01","31.06","0.02","12.91","0.02","90","","97.82","0.03","90","","3810","8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H30 Fe N6 O P S5 -","- C34 H30 Fe N6 O P S5 -","- C136 H120 Fe4 N24 O4 P4 S20 -","4","1","","Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola","Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands","New J. Chem.","2015","39","6","4716","","10.1039/C5NJ00425J","","","0.71073","MoKα","","0.1011","0.0563","","","0.1305","0.147","","","","","","1.007","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054761","8.487","0.004","13.97","0.006","16.988","0.009","73.85","0.01","77.69","0.02","76.69","0.02","1858.6","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Fe I5.6 N6 S6 -","- C18 H30 Fe I5.6 N6 S6 -","- C36 H60 Fe2 I11.2 N12 S12 -","2","1","","Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola","Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands","New J. Chem.","2015","39","6","4716","","10.1039/C5NJ00425J","","","0.71073","MoKα","","0.1622","0.0796","","","0.178","0.2016","","","","","","1.021","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054762","14.543","0.001","42.417","0.003","14.52","0.001","90","","115.476","0.001","90","","8086","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H60 Co2 I14 N12 S12 -","- C36 H60 Co2 I14.03 N12 S12 -","- C144 H240 Co8 I56.12 N48 S48 -","4","0.5","","Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola","Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands","New J. Chem.","2015","39","6","4716","","10.1039/C5NJ00425J","","","0.71073","MoKα","","0.082","0.0596","","","0.178","0.1999","","","","","","1.043","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054763","13.9246","0.0019","22.628","0.003","25.869","0.004","90","","90","","90","","8151","2","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H67 N3 P Sc -","- C40 H67 N3 P Sc -","- C320 H536 N24 P8 Sc8 -","8","1","","Lv, Yingdong; Zhou, Jiliang; Leng, Xuebing; Chen, Yaofeng","Substitution reaction of triphenylphosphine oxide with rare-earth metal phosphido methyl complexes","New J. Chem.","2015","39","10","7582","","10.1039/C5NJ00335K","","","0.71073","MoKα","","0.1215","0.0569","","","0.1285","0.1567","","","","","","1.02","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054764","10.7097","0.0015","13.537","0.002","20.887","0.003","90","","93.806","0.003","90","","3021.5","0.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 N3 P Sc -","- C30 H47 N3 P Sc -","- C120 H188 N12 P4 Sc4 -","4","1","","Lv, Yingdong; Zhou, Jiliang; Leng, Xuebing; Chen, Yaofeng","Substitution reaction of triphenylphosphine oxide with rare-earth metal phosphido methyl complexes","New J. Chem.","2015","39","10","7582","","10.1039/C5NJ00335K","","","0.71073","MoKα","","0.1183","0.0728","","","0.1917","0.2312","","","","","","1.041","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054765","9.591","0.0008","23.0001","0.0019","17.0175","0.0015","90","","97.618","0.002","90","","3720.8","0.5","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H51 Lu N3 O P -","- C40 H51 Lu N3 O P -","- C160 H204 Lu4 N12 O4 P4 -","4","1","","Lv, Yingdong; Zhou, Jiliang; Leng, Xuebing; Chen, Yaofeng","Substitution reaction of triphenylphosphine oxide with rare-earth metal phosphido methyl complexes","New J. Chem.","2015","39","10","7582","","10.1039/C5NJ00335K","","","0.71073","MoKα","","0.0674","0.0371","","","0.0693","0.0786","","","","","","0.984","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054766","27.73","0.004","9.8425","0.0015","27.805","0.004","90","","92.963","0.003","90","","7578.7","1.9","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Cl N3 O P Sc -","- C40 H52 Cl N3 O P Sc -","- C320 H416 Cl8 N24 O8 P8 Sc8 -","8","2","","Lv, Yingdong; Zhou, Jiliang; Leng, Xuebing; Chen, Yaofeng","Substitution reaction of triphenylphosphine oxide with rare-earth metal phosphido methyl complexes","New J. Chem.","2015","39","10","7582","","10.1039/C5NJ00335K","","","0.71073","MoKα","","0.1325","0.0769","","","0.214","0.2659","","","","","","0.947","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054767","10.5072","0.0008","21.5995","0.0009","11.2524","0.0005","90","","90.578","0.004","90","","2553.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","51352","","- C26 H18 Br2 Cl N5 O -","- C26 H18 Br2 Cl N5 O -","- C104 H72 Br8 Cl4 N20 O4 -","4","1","","Manivannan, Ramalingam; Satheshkumar, Angupillai; El-Mossalamy, El-Sayed H.; Al-Harbi, Laila M.; Kosa, Samia A.; Elango, Kuppanagounder P.","Design, synthesis and characterization of indole based anion sensing receptors","New J. Chem.","2015","39","5","3936","","10.1039/C4NJ01728E","","","0.71073","MoKα","","0.1388","0.0567","","","0.1304","0.1855","","","","","","1.043","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054768","10.7139","0.0018","11.257","0.0015","13.736","0.002","90","","108.196","0.005","90","","1573.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","M-bis(hexafluoroacetylacetonato)(tris(o-tolyl)phosphino)palladium(II)","","- C31 H23 F12 O4 P Pd -","- C31 H23 F12 O4 P Pd -","- C62 H46 F24 O8 P2 Pd2 -","2","1","","Lennartson, Anders; Håkansson, Mikael","A missing link between chiral four- and five-coordinate complexes","New J. Chem.","2015","39","5","3353","","10.1039/C5NJ00265F","","x-ray","0.71073","MoKα","","0.0195","0.0186","","","0.0464","0.0469","","","","","","1.041","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054769","11.351","0.0014","14.4276","0.0017","19.814","0.002","90","","95.639","0.005","90","","3229.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","rac-bis(hexafluoroacetylacetonato)(tris(o-tolyl)phosphino)palladium(II)","","- C31 H23 F12 O4 P Pd -","- C31 H23 F12 O4 P Pd -","- C124 H92 F48 O16 P4 Pd4 -","4","1","","Lennartson, Anders; Håkansson, Mikael","A missing link between chiral four- and five-coordinate complexes","New J. Chem.","2015","39","5","3353","","10.1039/C5NJ00265F","","x-ray","0.71073","MoKα","","0.0237","0.0208","","","0.053","0.0539","","","","","","1.036","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054770","7.074","0.002","9.8727","0.0004","17.1493","0.0008","81.198","0.002","89.999","0.008","69.007","0.018","1103.1","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H21 N3 O2 -","- C29 H21 N3 O2 -","- C58 H42 N6 O4 -","2","2","","Maria Xavier, A. John; Samy, N. Arockia; Paul, M. Wilson Bosco; Brainard, B.; Letticia, M.; Alexander, V.","A new heterometallic terbium(iii)‒ruthenium(ii) complex and its terbium(iii)‒zinc(ii) analog: syntheses, characterization, luminescence, and electrochemical properties","New J. Chem.","2015","39","6","4284","","10.1039/C5NJ00082C","","","0.71073","MoKα","","0.0566","0.0404","","","0.0971","0.1201","","","","","","1.092","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054775","10.7306","0.0005","16.1771","0.0007","15.2453","0.0007","90","","95.132","0.004","90","","2635.8","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H44 N O Sc Si2 -","- C23 H44 N O Sc Si2 -","- C92 H176 N4 O4 Sc4 Si8 -","4","1","","Deng, Meng; Chi, Shuhui; Luo, Yunjie","Rare-earth metal bis(alkyl) complexes bearing pyrrolidinyl-functionalized cyclopentadienyl, indenyl and fluorenyl ligands: synthesis, characterization and the ligand effect on isoprene polymerization","New J. Chem.","2015","39","10","7575","","10.1039/C5NJ00279F","","","0.7107","MoKα","","0.0605","0.0447","","","0.1096","0.1164","","","","","","1.028","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054776","10.1323","0.0004","11.1789","0.0004","30.7457","0.0011","90","","96.195","0.004","90","","3462.2","0.2","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 N O Si3 Y -","- C31 H52 N O Si3 Y -","- C124 H208 N4 O4 Si12 Y4 -","4","1","","Deng, Meng; Chi, Shuhui; Luo, Yunjie","Rare-earth metal bis(alkyl) complexes bearing pyrrolidinyl-functionalized cyclopentadienyl, indenyl and fluorenyl ligands: synthesis, characterization and the ligand effect on isoprene polymerization","New J. Chem.","2015","39","10","7575","","10.1039/C5NJ00279F","","","0.7107","MoKα","","0.0673","0.0418","","","0.0847","0.0912","","","","","","1.024","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054777","10.0861","0.0005","11.1647","0.0006","30.639","0.002","90","","96.377","0.005","90","","3428.9","0.3","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 Lu N O Si3 -","- C31 H52 Lu N O Si3 -","- C124 H208 Lu4 N4 O4 Si12 -","4","1","","Deng, Meng; Chi, Shuhui; Luo, Yunjie","Rare-earth metal bis(alkyl) complexes bearing pyrrolidinyl-functionalized cyclopentadienyl, indenyl and fluorenyl ligands: synthesis, characterization and the ligand effect on isoprene polymerization","New J. Chem.","2015","39","10","7575","","10.1039/C5NJ00279F","","","0.7107","MoKα","","0.0874","0.0741","","","0.2001","0.2048","","","","","","1.133","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054778","8.7284","0.0015","17.138","0.003","20.293","0.004","90","","90.986","0.004","90","","3035.1","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","L1","","- C35 H37 N3 O2 S -","- C35 H37 N3 O2 S -","- C140 H148 N12 O8 S4 -","4","1","","Yang, Meipan; Meng, Wenfei; Ding, Qingli; Su, Na; Liu, Xiaojing; Zhang, Ming; Yang, Bingqin","Novel fluorescent probes based on rhodamine for naked-eye detection of Fe3+and their application of imaging in living cells","New J. Chem.","2015","39","6","4790","","10.1039/C5NJ00226E","","","0.71073","MoKα","","0.1756","0.0804","","","0.1809","0.226","","","","","","1.028","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054779","9.0224","0.0008","11.6701","0.001","30.389","0.003","90","","90","","90","","3199.7","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 N3 O2 S -","- C37 H39 N3 O2 S -","- C148 H156 N12 O8 S4 -","4","1","","Yang, Meipan; Meng, Wenfei; Ding, Qingli; Su, Na; Liu, Xiaojing; Zhang, Ming; Yang, Bingqin","Novel fluorescent probes based on rhodamine for naked-eye detection of Fe3+and their application of imaging in living cells","New J. Chem.","2015","39","6","4790","","10.1039/C5NJ00226E","","","0.71073","MoKα","","0.0722","0.058","","","0.118","0.1245","","","","","","1.063","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054780","18.6062","0.0018","18.6062","0.0018","30.69","0.03","90","","90","","120","","9201","9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","[Cu3(L)(CO3)(ClO4)3](ClO4)","","","- C52 H69 Cl4 Cu3 N9 O22 -","- C52 H69 Cl4 Cu3 N9 O22 -","- C312 H414 Cl24 Cu18 N54 O132 -","6","0.333333","","Massoud, Salah S.; Louka, Febee R.; Al-Hasan, Mustafa A.; Vicente, Ramon; Mautner, Franz A.","Magneto-structural properties of carbonato-bridged copper(ii) complexes: fixation of atmospheric CO2","New J. Chem.","2015","39","8","5944","","10.1039/C5NJ00285K","","","0.71073","MoKα","","0.0841","0.077","","","0.1849","0.1895","","","","","","1.177","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054781","10.5041","0.0011","23.516","0.003","18.0212","0.0016","90","","101.48","0.02","90","","4362.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu2(L2)2(CO3)](ClO4)2.H2O","","","- C31 H74 Cl2 Cu2 N8 O12 -","- C31 H74 Cl2 Cu2 N8 O12 -","- C124 H296 Cl8 Cu8 N32 O48 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Al-Hasan, Mustafa A.; Vicente, Ramon; Mautner, Franz A.","Magneto-structural properties of carbonato-bridged copper(ii) complexes: fixation of atmospheric CO2","New J. Chem.","2015","39","8","5944","","10.1039/C5NJ00285K","","","0.71073","MoKα","","0.0754","0.0601","","","0.1441","0.1542","","","","","","1.017","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054782","7.395","0.0008","10.783","0.0011","12.36","0.0014","102.279","0.001","90.428","0.001","106.08","0.002","923.05","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cu N4 O7 -","- C17 H20 Cu N4 O7 -","- C34 H40 Cu2 N8 O14 -","2","1","","Zhang, WeiChuan; Lu, Xiaoming; Wang, Guo; Cheng, Yifeng; Zhang, Bo","Methyl-substituted enhancement of antitumor activity in square-planar metal complex and analysis of ΔE, ΔG, CV, UV-vis and luminescence","New J. Chem.","2015","39","6","4869","","10.1039/C4NJ01953A","","","0.71073","MoKα","","0.1552","0.121","","","0.2882","0.325","","","","","","1.028","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054783","7.2802","0.0007","11.725","0.001","11.8101","0.0012","119.471","0.002","101.922","0.001","91.086","0.001","850.09","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl Cu N3 O4 -","- C15 H16 Cl Cu N3 O4 -","- C30 H32 Cl2 Cu2 N6 O8 -","2","1","","Zhang, WeiChuan; Lu, Xiaoming; Wang, Guo; Cheng, Yifeng; Zhang, Bo","Methyl-substituted enhancement of antitumor activity in square-planar metal complex and analysis of ΔE, ΔG, CV, UV-vis and luminescence","New J. Chem.","2015","39","6","4869","","10.1039/C4NJ01953A","","","0.71073","MoKα","","0.0412","0.0358","","","0.0915","0.0948","","","","","","1.136","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054784","8.287","0.0017","9.193","0.0018","9.926","0.002","90","","102.89","0.03","90","","737.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Cl N5 O4 -","- C2 H6 Cl N5 O4 -","- C8 H24 Cl4 N20 O16 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.0403","0.0371","","","0.1101","0.1141","","","","","","1.059","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054785","13.797","0.004","6.5463","0.0019","14.572","0.005","90","","103.617","0.004","90","","1279.1","0.7","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N8 O7 -","- C8 H8 N8 O7 -","- C32 H32 N32 O28 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.0644","0.0497","","","0.1211","0.1333","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7054786","10.84","0.002","6.6164","0.0013","18.342","0.004","90","","92.26","0.03","90","","1314.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N8 O9 -","- C8 H8 N8 O9 -","- C32 H32 N32 O36 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.0366","0.0344","","","0.1012","0.1038","","","","","","1.053","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054787","8.5269","0.0007","6.265","0.0004","12.7601","0.0011","90","","112.003","0.002","90","","632.01","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 N6 O3 -","- C2 H6 N6 O3 -","- C8 H24 N24 O12 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.113","0.0851","","","0.2642","0.3002","","","","","","1.046","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054788","5.101","0.0004","7.9797","0.0006","24.095","0.002","90","","91.788","0.002","90","","980.3","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N8 O4 -","- C6 H8 N8 O4 -","- C24 H32 N32 O16 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.0396","0.0335","","","0.0785","0.0827","","","","","","1.028","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054789","6.4007","0.0004","7.6439","0.0005","10.1075","0.0008","70.985","0.001","87.798","0.002","85.279","0.002","465.92","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H6 N8 O6 -","- C3 H6 N8 O6 -","- C6 H12 N16 O12 -","2","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Cheng, Zi-Yuan; Xu, Cai-Xia","3,4-Diamino-1,2,4-triazole based energetic salts: synthesis, characterization, and energetic properties","New J. Chem.","2015","39","7","5265","","10.1039/C5NJ00182J","","","0.71073","MoKα","","0.1525","0.1101","","","0.2824","0.3047","","","","","","1.094","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054790","12.9857","0.0008","7.8019","0.0004","19.1976","0.0012","90","","101.655","0.005","90","","1904.9","0.2","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl Fe N3 O5 S -","- C17 H17 Cl Fe N3 O5 S -","- C68 H68 Cl4 Fe4 N12 O20 S4 -","4","1","","Bal-Demirci, Tülay; Congur, Gulsah; Erdem, Arzum; Erdem-Kuruca, Serap; Özdemir, Namık; Akgün-Dar, Kadriye; Varol, Başak; Ülküseven, Bahri","Iron(iii) and nickel(ii) complexes as potential anticancer agents: synthesis, physicochemical and structural properties, cytotoxic activity and DNA interactions","New J. Chem.","2015","39","7","5643","","10.1039/C5NJ00594A","","","0.71073","MoKα","","0.1523","0.0598","","","0.1075","0.1277","","","","","","0.875","","","","has coordinates","143721","2020-10-21","18:00:00",""
"7054791","6.5112","0.0016","8.2566","0.0017","19.598","0.005","90","","90","","90","","1053.6","0.4","289","2","289","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C-catena(bis((μ2-chloro)-chloro-(2-(2-methylaminoethyl)pyridine)-copper(II)))","","- C8 H12 Cl2 Cu N2 -","- C8 H12 Cl2 Cu N2 -","- C32 H48 Cl8 Cu4 N8 -","4","1","","Lennartson, Anders; Håkansson, Mikael","Absolute asymmetric synthesis of five-coordinate complexes","New J. Chem.","2015","39","8","5936","","10.1039/C5NJ00254K","","x-ray","0.71073","MoKα","","0.0253","0.024","","","0.0518","0.052","","","","","","0.994","","","","has coordinates","153248","2020-10-21","18:00:00",""
"7054792","5.7841","0.0014","13.342","0.002","16.26","0.003","90","","90","","90","","1254.8","0.4","289","2","289","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","A-catena(aqua-dichloro-caffein-copper(II))","","- C8 H12 Cl2 Cu N4 O3 -","- C8 H10 Cl2 Cu N4 O3 -","- C32 H40 Cl8 Cu4 N16 O12 -","4","1","","Lennartson, Anders; Håkansson, Mikael","Absolute asymmetric synthesis of five-coordinate complexes","New J. Chem.","2015","39","8","5936","","10.1039/C5NJ00254K","","x-ray","0.71073","MoKα","","0.0286","0.0276","","","0.0715","0.0719","","","","","","1.069","","","","has coordinates","153248","2020-10-21","18:00:00",""
"7054793","26.231","0.003","15.548","0.002","16.869","0.003","90","","90","","90","","6879.8","1.7","289","2","289","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Λ-bis(2,2'-bipridine-N,N')-(saccharinato-N)-copper(II) saccharinate dihydrate","","- C34 H28 Cu N6 O8 S2 -","- C34 H24 Cu N6 O8 S2 -","- C272 H192 Cu8 N48 O64 S16 -","8","1","","Lennartson, Anders; Håkansson, Mikael","Absolute asymmetric synthesis of five-coordinate complexes","New J. Chem.","2015","39","8","5936","","10.1039/C5NJ00254K","","x-ray","0.71073","MoKα","","0.0441","0.0384","","","0.0924","0.095","","","","","","0.975","","","","has coordinates","153248","2020-10-21","18:00:00",""
"7054794","15.5295","0.0008","23.5505","0.0012","33.0018","0.0018","90","","90","","90","","12069.7","1.1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H77 Li N5 O Si6 Y -","- C40 H77 Li N5 O Si6 Y -","- C320 H616 Li8 N40 O8 Si48 Y8 -","8","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.1428","0.0564","","","0.1075","0.1193","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054795","15.5306","0.001","23.5561","0.0015","32.975","0.002","90","","90","","90","","12063.6","1.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H77 Er Li N5 O Si6 -","- C40 H77 Er Li N5 O Si6 -","- C320 H616 Er8 Li8 N40 O8 Si48 -","8","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.0815","0.042","","","0.1063","0.1167","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054796","15.5608","0.0014","23.561","0.002","33.081","0.003","90","","90","","90","","12128.4","1.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H77 Dy Li N5 O Si6 -","- C40 H77 Dy Li N5 O Si6 -","- C320 H616 Dy8 Li8 N40 O8 Si48 -","8","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.1452","0.0689","","","0.2024","0.2316","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054797","16.5667","0.0012","17.4682","0.0012","22.5078","0.0016","90","","104.071","0.001","90","","6318.1","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Li N6 O2 Si4 Sm -","- C56 H82 Li N6 O2 Si4 Sm -","- C224 H328 Li4 N24 O8 Si16 Sm4 -","4","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.0846","0.0442","","","0.0982","0.1151","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054798","16.4571","0.0015","17.6102","0.0016","22.308","0.002","90","","104.279","0.001","90","","6265.4","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Er Li N6 O2 Si4 -","- C56 H82 Er Li N6 O2 Si4 -","- C224 H328 Er4 Li4 N24 O8 Si16 -","4","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.0524","0.0363","","","0.1034","0.1163","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054799","16.4885","0.0009","17.569","0.001","22.3191","0.0012","90","","104.437","0.001","90","","6261.4","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Li N6 O2 Si4 Yb -","- C56 H82 Li N6 O2 Si4 Yb -","- C224 H328 Li4 N24 O8 Si16 Yb4 -","4","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.0809","0.0394","","","0.0661","0.077","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054800","22.6209","0.0013","12.2218","0.0007","16.4211","0.0009","90","","128.697","0.001","90","","3543.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N2 O3.5 Pb -","- C20 H19 N2 O3.5 Pb -","- C160 H152 N16 O28 Pb8 -","8","1","","Chen, Ling; Yan, Cheng; Pan, Mei; Fan, Yuan-Zhong; Zhang, Lu-Yin; Yin, Shao-Yun; Hou, Ya-Jun; Wu, Kai; Jiang, Ji-Jun; Su, Cheng-Yong","Semidirected versus holodirected coordination and single-component white light luminescence in Pb(ii) complexes","New J. Chem.","2015","39","7","5287","","10.1039/C5NJ00720H","","","0.71","MoKα","","0.0459","0.0307","","","0.0575","0.0619","","","","","","1.039","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7054801","10.0789","0.0002","21.1453","0.0003","13.7167","0.0002","90","","102.148","0.002","90","","2857.86","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Cl2 N6 O14 Pb4 -","- C60 H48 Cl2 N6 O14 Pb4 -","- C120 H96 Cl4 N12 O28 Pb8 -","2","0.5","","Chen, Ling; Yan, Cheng; Pan, Mei; Fan, Yuan-Zhong; Zhang, Lu-Yin; Yin, Shao-Yun; Hou, Ya-Jun; Wu, Kai; Jiang, Ji-Jun; Su, Cheng-Yong","Semidirected versus holodirected coordination and single-component white light luminescence in Pb(ii) complexes","New J. Chem.","2015","39","7","5287","","10.1039/C5NJ00720H","","","0.71","MoKα","","0.0505","0.0379","","","0.063","0.0688","","","","","","0.989","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054802","15.6793","0.0004","21.2137","0.0005","26.0127","0.0005","90","","99.137","0.001","90","","8542.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H76 N22 O8 Pb -","- C96 H76 N22 O8 Pb -","- C384 H304 N88 O32 Pb4 -","4","1","","Chen, Ling; Yan, Cheng; Pan, Mei; Fan, Yuan-Zhong; Zhang, Lu-Yin; Yin, Shao-Yun; Hou, Ya-Jun; Wu, Kai; Jiang, Ji-Jun; Su, Cheng-Yong","Semidirected versus holodirected coordination and single-component white light luminescence in Pb(ii) complexes","New J. Chem.","2015","39","7","5287","","10.1039/C5NJ00720H","","","0.71073","MoKα","","0.0571","0.0438","","","0.1074","0.1157","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054803","13.0328","0.0005","14.6898","0.0005","16.6176","0.0008","94.303","0.003","108.155","0.004","108.11","0.003","2820.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H43 Cl2 N8 O7 Pb Zn -","- C51 H43 Cl2 N8 O7 Pb Zn -","- C102 H86 Cl4 N16 O14 Pb2 Zn2 -","2","1","","Chen, Ling; Yan, Cheng; Pan, Mei; Fan, Yuan-Zhong; Zhang, Lu-Yin; Yin, Shao-Yun; Hou, Ya-Jun; Wu, Kai; Jiang, Ji-Jun; Su, Cheng-Yong","Semidirected versus holodirected coordination and single-component white light luminescence in Pb(ii) complexes","New J. Chem.","2015","39","7","5287","","10.1039/C5NJ00720H","","","1.54178","CuKα","","0.0968","0.0855","","","0.2694","0.2925","","","","","","1.086","","","","has coordinates","143727","2020-10-21","18:00:00",""
"7054804","10.5471","0.0005","11.2905","0.0006","13.1499","0.0006","71.518","0.004","69.935","0.004","87.015","0.004","1392.18","0.13","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H90 O4 S2 Sm2 -","- C60 H90 O4 S2 Sm2 -","- C60 H90 O4 S2 Sm2 -","1","0.5","","Klementyeva, Svetlana V.; Arleth, Nicholas; Meyer, Karsten; Konchenko, Sergey N.; Roesky, Peter W.","Dithionite and sulfinate complexes from the reaction of SO2with decamethylsamarocene","New J. Chem.","2015","39","10","7589","","10.1039/C5NJ00318K","","","0.71073","MoKα","","0.0278","0.0242","","","0.0571","0.0579","","","","","","0.986","","","","has coordinates","162062","2020-10-21","18:00:00",""
"7054805","12.415","0.002","12.471","0.003","17.87","0.003","97.595","0.016","101.297","0.015","112.448","0.015","2441.3","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C94 H136 O12 S6 Sm4 -","- C94 H136 O12 S6 Sm4 -","- C94 H136 O12 S6 Sm4 -","1","0.5","","Klementyeva, Svetlana V.; Arleth, Nicholas; Meyer, Karsten; Konchenko, Sergey N.; Roesky, Peter W.","Dithionite and sulfinate complexes from the reaction of SO2with decamethylsamarocene","New J. Chem.","2015","39","10","7589","","10.1039/C5NJ00318K","","","0.71073","MoKα","","0.1352","0.0867","","","0.1991","0.2163","","","","","","0.941","","","","has coordinates","162062","2020-10-21","18:00:00",""
"7054806","8.5615","0.0003","20.6022","0.0009","11.7388","0.0006","90","","100.794","0.004","90","","2033.92","0.16","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O2 S Sm -","- C20 H30 O2 S Sm -","- C80 H120 O8 S4 Sm4 -","4","1","","Klementyeva, Svetlana V.; Arleth, Nicholas; Meyer, Karsten; Konchenko, Sergey N.; Roesky, Peter W.","Dithionite and sulfinate complexes from the reaction of SO2with decamethylsamarocene","New J. Chem.","2015","39","10","7589","","10.1039/C5NJ00318K","","","0.71073","MoKα","","0.0656","0.0466","","","0.119","0.1272","","","","","","1.044","","","","has coordinates,has disorder","162062","2020-10-21","18:00:00",""
"7054807","11.8154","0.0004","12.3472","0.0004","12.4497","0.0004","76.608","0.002","72.242","0.002","74.217","0.002","1642.46","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H98 O8 S4 Sm2 -","- C67 H97 O8 S4 Sm2 -","- C67 H97 O8 S4 Sm2 -","1","0.5","","Klementyeva, Svetlana V.; Arleth, Nicholas; Meyer, Karsten; Konchenko, Sergey N.; Roesky, Peter W.","Dithionite and sulfinate complexes from the reaction of SO2with decamethylsamarocene","New J. Chem.","2015","39","10","7589","","10.1039/C5NJ00318K","","","0.71073","MoKα","","0.0319","0.0302","","","0.0815","0.0825","","","","","","1.094","","","","has coordinates","162062","2020-10-21","18:00:00",""
"7054808","11.0828","0.0016","8.3612","0.0012","25.823","0.004","90","","92.896","0.003","90","","2389.8","0.6","100","2","99.85","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H36 N2 O12 S2 -","- C18 H36 N2 O12 S2 -","- C72 H144 N8 O48 S8 -","4","2","","Adokoh, Christian K.; Obuah, Collins; Kinfe, Henok H.; Zinyemba, Orpah; Darkwa, James","Novel bio-friendly and non-toxic thiocarbohydrate stabilizers of gold nanoparticles","New J. Chem.","2015","39","7","5249","","10.1039/C5NJ00293A","","","0.71073","MoKα","","0.0838","0.0498","","","0.1113","0.1343","","","","","","1.013","","","","has coordinates","143730","2020-10-21","18:00:00",""
"7054809","12.5424","0.0001","22.7691","0.0003","24.9695","0.0002","90","","90","","90","","7130.77","0.12","173","2","173.15","","","","","","","","","5","P b c 21","P 2c -2b","29","","1","","- C68 H120 N2 Si4 U2 -","- C68 H120 N2 Si4 U2 -","- C272 H480 N8 Si16 U8 -","4","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","","0.71073","MoKα","","0.0468","0.0334","","","0.0775","0.0982","","","","","","1.223","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7054810","11.8517","0.0002","14.9317","0.0002","22.2479","0.0003","90","","91.366","0.002","90","","3936","0.1","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","1.THF","","- C38 H68 N O Si2 U -","- C38 H68 N O Si2 U -","- C152 H272 N4 O4 Si8 U4 -","4","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","x-ray","1.54184","CuKα","","0.0587","0.0539","","","0.1503","0.1539","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054811","11.8847","0.0007","14.9475","0.0008","22.5236","0.0014","90","","89.568","0.005","90","","4001.1","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2THF","","","- C38 H68 O P Si2 U -","- C38 H68 O P Si2 U -","- C152 H272 O4 P4 Si8 U4 -","4","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","x-ray","0.71073","Mo/Ka","","0.0429","0.0298","","","0.0641","0.07","","","","","","1.047","","","","has coordinates,has disorder","162082","2020-10-21","18:00:00",""
"7054812","11.9699","0.0002","14.9384","0.0002","22.3338","0.0004","90","","90.538","0.001","90","","3993.36","0.11","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","3.THF","","- C38 H68 As O Si2 U -","- C38 H68 As O Si2 U -","- C152 H272 As4 O4 Si8 U4 -","4","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","x-ray","0.71073","MoKα","","0.0686","0.0396","","","0.0909","0.1146","","","","","","1.12","","","","has coordinates","162082","2020-10-21","18:00:00",""
"7054813","12.961","0.0009","14.6337","0.001","22.2106","0.0016","97.035","0.006","97.053","0.006","102.983","0.007","4024.5","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","4","4","","- C70 H120 N2 O5 Si4 U2 -","- C70 H120 N2 O5 Si4 U2 -","- C140 H240 N4 O10 Si8 U4 -","2","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","","0.71073","MoKα","","0.1155","0.0703","","","0.1751","0.1944","","","","","","1.012","","","","has coordinates","162082","2020-10-21","18:00:00",""
"7054814","22.3131","0.0004","15.0442","0.0003","22.7699","0.0004","90","","96.826","0.001","90","","7589.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5","","- C70 H120 O5 P2 Si4 U2 -","- C70 H120 O5 P2 Si4 U2 -","- C280 H480 O20 P8 Si16 U8 -","4","1","","Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François","Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands","New J. Chem.","2015","39","10","7602","","10.1039/C5NJ00590F","","x-ray","0.71073","MoKα","","0.0922","0.0484","","","0.0717","0.0816","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054815","5.7245","0.0008","11.1337","0.0017","12.3817","0.0019","66.474","0.002","87.523","0.002","89.655","0.002","722.82","0.19","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H18 F4 I N O -","- C11 H18 F4 I N O -","- C22 H36 F8 I2 N2 O2 -","2","1","","Pang, Xue; Jin, Wei Jun","Exploring the halogen bond specific solvent effects in halogenated solvent systems by ESR probe","New J. Chem.","2015","39","7","5477","","10.1039/C5NJ00300H","","","0.71073","MoKα","","0.0206","0.0197","","","0.0469","0.0475","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054816","9.9973","0.0002","12.1216","0.0002","13.5814","0.0003","96.247","0.001","105.047","0.001","108.529","0.001","1473.76","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H26 N3 Ni O P S3 -","- C30 H26 N3 Ni O P S3 -","- C60 H52 N6 Ni2 O2 P2 S6 -","2","1","","Sathiyaraj, Ethiraj; Gurumoorthy, Govindasamy; Thirumaran, Subbiah","Nickel(ii) dithiocarbamate complexes containing the pyrrole moiety for sensing anions and synthesis of nickel sulfide and nickel oxide nanoparticles","New J. Chem.","2015","39","7","5336","","10.1039/C4NJ02250E","","","0.71073","MoKα","","0.0397","0.0315","","","0.0827","0.0894","","","","","","0.957","","","","has coordinates","143732","2020-10-21","18:00:00",""
"7054817","12.8102","0.0003","12.3291","0.0003","10.2865","0.0002","90","","112.007","0.001","90","","1506.26","0.06","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C84 H56 N8 -","4","1","","Sontakke, Vyankat A.; Kate, Anup N.; Ghosh, Sougata; More, Piyush; Gonnade, Rajesh; Kumbhar, Navanath M.; Kumbhar, Anupa A.; Chopade, Balu A.; Shinde, Vaishali S.","Synthesis, DNA interaction and anticancer activity of 2-anthryl substituted benzimidazole derivatives","New J. Chem.","2015","39","6","4882","","10.1039/C4NJ02415J","","","0.71073","MoKα","","0.1088","0.0809","","","0.2133","0.2479","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054818","9.3823","0.0011","20.167","0.002","16.4339","0.0019","90","","99.864","0.002","90","","3063.5","0.6","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 Ir Lu N Si -","- C28 H47 Ir Lu N Si -","- C112 H188 Ir4 Lu4 N4 Si4 -","4","1","","Shima, Takanori; Yanagi, Takako; Hou, Zhaomin","Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity","New J. Chem.","2015","39","10","7608","","10.1039/C5NJ00598A","","","0.71073","MoKα","","0.1231","0.0631","","","0.1233","0.1379","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054819","9.6879","0.001","10.9527","0.0011","18.836","0.002","73.159","0.001","85.811","0.002","78.961","0.001","1877.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H60 Ir N2 Sc Si2 -","- C35 H60 Ir N2 Sc Si2 -","- C70 H120 Ir2 N4 Sc2 Si4 -","2","1","","Shima, Takanori; Yanagi, Takako; Hou, Zhaomin","Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity","New J. Chem.","2015","39","10","7608","","10.1039/C5NJ00598A","","","0.71073","MoKα","","0.0784","0.0733","","","0.2075","0.2178","","","","","","1.142","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054820","46.05","0.03","9.62","0.006","19.635","0.013","90","","90.619","0.011","90","","8698","10","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H62 Ir Lu N3 Si -","- C45 H60 Ir Lu N3 Si -","- C360 H480 Ir8 Lu8 N24 Si8 -","8","1","","Shima, Takanori; Yanagi, Takako; Hou, Zhaomin","Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity","New J. Chem.","2015","39","10","7608","","10.1039/C5NJ00598A","","","0.71073","MoKα","","0.1749","0.0524","","","0.0809","0.1112","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054821","12.688","0.007","15.745","0.009","20.071","0.011","90","","95.867","0.009","90","","3989","4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 Ir Lu N3 Si -","- C42 H57 Ir Lu N3 Si -","- C168 H228 Ir4 Lu4 N12 Si4 -","4","1","","Shima, Takanori; Yanagi, Takako; Hou, Zhaomin","Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity","New J. Chem.","2015","39","10","7608","","10.1039/C5NJ00598A","","","0.71073","MoKα","","0.1017","0.0424","","","0.0698","0.0824","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054822","9.431","0.002","10.568","0.003","18.813","0.005","85.387","0.004","79.968","0.003","74.367","0.003","1777","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H54 Ir Lu N2 O Si -","- C36 H52 Ir Lu N2 O Si -","- C72 H104 Ir2 Lu2 N4 O2 Si2 -","2","1","","Shima, Takanori; Yanagi, Takako; Hou, Zhaomin","Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity","New J. Chem.","2015","39","10","7608","","10.1039/C5NJ00598A","","","0.71073","MoKα","","0.0972","0.0715","","","0.1669","0.1743","","","","","","0.924","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054823","9.776","0.002","13.149","0.003","16.983","0.003","101.28","0.03","105.35","0.03","108.19","0.03","1905.5","1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H57 Ho N6 -","- C36 H57 Ho N6 -","- C72 H114 Ho2 N12 -","2","1","","Sroor, Farid M.; Hrib, Cristian G.; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and catalytic activity of homoleptic lanthanide-tris(cyclopropylethinyl)amidinates","New J. Chem.","2015","39","10","7595","","10.1039/C5NJ00555H","","","0.71073","MoKα","","0.0379","0.0343","","","0.0891","0.0908","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054824","9.7257","0.0019","10.383","0.002","10.558","0.002","70.77","0.03","65.92","0.03","70.83","0.03","895.5","0.4","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 N2 -","- C21 H28 N2 -","- C42 H56 N4 -","2","1","","Sroor, Farid M.; Hrib, Cristian G.; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and catalytic activity of homoleptic lanthanide-tris(cyclopropylethinyl)amidinates","New J. Chem.","2015","39","10","7595","","10.1039/C5NJ00555H","","","0.71073","MoKα","","0.0717","0.0535","","","0.1411","0.1512","","","","","","1.071","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054825","6.4203","0.0011","18.901","0.003","6.5776","0.0011","90","","104.022","0.004","90","","774.4","0.2","293","2","293","2","","","","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N4 O8 -","- C14 H16 N4 O8 -","- C28 H32 N8 O16 -","2","0.5","","Briceño, Alexander; Leal, Dayana; Díaz de Delgado, Graciela","A novel example of double reactivity by either photochemical [2+2] or thermal additions of an ionic organic supramolecular assembly","New J. Chem.","2015","39","6","4965","","10.1039/C5NJ00678C","","","0.7107","MoKα","","0.0563","0.0462","","","0.114","0.1214","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054826","7.646","0.005","7.48","0.005","13.756","0.01","90","","96.521","0.019","90","","781.6","0.9","293","2","293","2","","","","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","","Briceño, Alexander; Leal, Dayana; Díaz de Delgado, Graciela","A novel example of double reactivity by either photochemical [2+2] or thermal additions of an ionic organic supramolecular assembly","New J. Chem.","2015","39","6","4965","","10.1039/C5NJ00678C","","","0.7107","MoKα","","0.114","0.0799","","","0.1967","0.2158","","","","","","1.16","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054827","13.4467","0.0001","20.6731","0.0002","25.1841","0.0002","83.205","0.001","74.743","0.001","77.61","0.001","6582.53","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H104 B2 N12 Yb -","- C59 H104 B2 N12 Yb -","- C236 H416 B8 N48 Yb4 -","4","2","","Kühling, Marcel; Wickleder, Claudia; Ferguson, Michael J.; Hrib, Cristian G.; McDonald, Robert; Suta, Markus; Hilfert, Liane; Takats, Josef; Edelmann, Frank T.","Investigation of the “bent sandwich-like” divalent lanthanide hydro-tris(pyrazolyl)borates Ln(TpiPr2)2(Ln = Sm, Eu, Tm, Yb)","New J. Chem.","2015","39","10","7617","","10.1039/C5NJ00568J","","","0.71073","MoKα","","0.0524","0.0363","","","0.064","0.0689","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054828","12.9942","0.001","13.6332","0.001","20.9744","0.0016","104.267","0.0008","94.869","0.0008","115.641","0.0007","3167.5","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H95 B2 N13 Sm -","- C56 H95 B2 N13 Sm -","- C112 H190 B4 N26 Sm2 -","2","1","","Kühling, Marcel; Wickleder, Claudia; Ferguson, Michael J.; Hrib, Cristian G.; McDonald, Robert; Suta, Markus; Hilfert, Liane; Takats, Josef; Edelmann, Frank T.","Investigation of the “bent sandwich-like” divalent lanthanide hydro-tris(pyrazolyl)borates Ln(TpiPr2)2(Ln = Sm, Eu, Tm, Yb)","New J. Chem.","2015","39","10","7617","","10.1039/C5NJ00568J","","","0.71073","MoKα","","0.0334","0.0271","","","0.0645","0.0678","","","","","","1.051","","","","has coordinates","162113","2020-10-21","18:00:00",""
"7054829","13.9188","0.0009","16.8238","0.0011","21.9614","0.0015","90","","90.3416","0.001","90","","5142.5","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H79 B N11 Sm -","- C47 H79 B N11 Sm -","- C188 H316 B4 N44 Sm4 -","4","1","","Kühling, Marcel; Wickleder, Claudia; Ferguson, Michael J.; Hrib, Cristian G.; McDonald, Robert; Suta, Markus; Hilfert, Liane; Takats, Josef; Edelmann, Frank T.","Investigation of the “bent sandwich-like” divalent lanthanide hydro-tris(pyrazolyl)borates Ln(TpiPr2)2(Ln = Sm, Eu, Tm, Yb)","New J. Chem.","2015","39","10","7617","","10.1039/C5NJ00568J","","","0.71073","MoKα","","0.0399","0.0287","","","0.0662","0.0715","","","","","","1.024","","","","has coordinates","162113","2020-10-21","18:00:00",""
"7054830","9.979","0.005","12.906","0.007","13.397","0.007","94.04","0.005","94.595","0.005","105.072","0.005","1653.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 F3 Ir N6 -","- C36 H24 F3 Ir N6 -","- C72 H48 F6 Ir2 N12 -","2","1","","Huixia, Xu; Peng, Sun; Dan, Zhao; Tingting, Yang; Yuying, Hao; Hua, Wang; Heping, Shi; Bingshe, Xu","Synthesis and photoelectric performances of blue-green emitting iridium phenylpyridine complexes using N,N′-heteroaromatic ancillary ligands","New J. Chem.","2015","39","7","5293","","10.1039/C5NJ00195A","","","0.71073","MoKα","","0.0543","0.0418","","","0.0781","0.0815","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054831","9.307","0.007","12.792","0.009","13.798","0.01","96.684","0.007","98.707","0.007","109.386","0.006","1507.1","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 F3 Ir N6 -","- C30 H20 F3 Ir N6 -","- C60 H40 F6 Ir2 N12 -","2","1","","Huixia, Xu; Peng, Sun; Dan, Zhao; Tingting, Yang; Yuying, Hao; Hua, Wang; Heping, Shi; Bingshe, Xu","Synthesis and photoelectric performances of blue-green emitting iridium phenylpyridine complexes using N,N′-heteroaromatic ancillary ligands","New J. Chem.","2015","39","7","5293","","10.1039/C5NJ00195A","","","0.71073","MoKα","","0.0568","0.0424","","","0.0856","0.09","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054832","13.163","0.007","20.032","0.011","23.737","0.013","90","","90","","90","","6259","6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H24 F Ir N6 -","- C35 H24 F Ir N6 -","- C280 H192 F8 Ir8 N48 -","8","1","","Huixia, Xu; Peng, Sun; Dan, Zhao; Tingting, Yang; Yuying, Hao; Hua, Wang; Heping, Shi; Bingshe, Xu","Synthesis and photoelectric performances of blue-green emitting iridium phenylpyridine complexes using N,N′-heteroaromatic ancillary ligands","New J. Chem.","2015","39","7","5293","","10.1039/C5NJ00195A","","","0.71073","MoKα","","0.078","0.0421","","","0.0713","0.0791","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054833","6.4945","0.0007","11.1068","0.001","11.7301","0.0013","101.467","0.009","102.098","0.009","106.947","0.009","760.24","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 N2 Ni O2 S4 -","- C32 H32 N2 Ni O2 S4 -","- C32 H32 N2 Ni O2 S4 -","1","0.5","","Yadav, Manoj Kumar; Rajput, Gunjan; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Rare intermolecular M⋯H‒C anagostic interactions in homoleptic Ni(ii)‒Pd(ii) dithiocarbamate complexes","New J. Chem.","2015","39","7","5493","","10.1039/C5NJ00452G","","","0.71073","MoKα","","0.0629","0.0431","","","0.1045","0.1142","","","","","","0.964","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054834","6.7086","0.001","10.3187","0.0018","10.8136","0.0012","74.967","0.012","84.813","0.01","72.281","0.014","688.59","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N3 Pd S4 -","- C29 H29 N3 Pd S4 -","- C29 H29 N3 Pd S4 -","1","0.5","","Yadav, Manoj Kumar; Rajput, Gunjan; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Rare intermolecular M⋯H‒C anagostic interactions in homoleptic Ni(ii)‒Pd(ii) dithiocarbamate complexes","New J. Chem.","2015","39","7","5493","","10.1039/C5NJ00452G","","","0.71073","MoKα","","0.1217","0.0931","","","0.2176","0.2487","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054835","7.0268","0.001","10.6267","0.0018","13.7577","0.0016","104.768","0.012","103.014","0.011","105.644","0.014","907.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 N4 Ni O6 S4 -","- C34 H38 N4 Ni O6 S4 -","- C34 H38 N4 Ni O6 S4 -","1","0.5","","Yadav, Manoj Kumar; Rajput, Gunjan; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Rare intermolecular M⋯H‒C anagostic interactions in homoleptic Ni(ii)‒Pd(ii) dithiocarbamate complexes","New J. Chem.","2015","39","7","5493","","10.1039/C5NJ00452G","","","0.71073","MoKα","","0.1042","0.0573","","","0.1103","0.1286","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054836","8.3049","0.0006","21.4036","0.0011","9.147","0.0007","90","","103.609","0.007","90","","1580.27","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 Ni O2 S4 -","- C32 H32 N2 Ni O2 S4 -","- C64 H64 N4 Ni2 O4 S8 -","2","0.5","","Yadav, Manoj Kumar; Rajput, Gunjan; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Rare intermolecular M⋯H‒C anagostic interactions in homoleptic Ni(ii)‒Pd(ii) dithiocarbamate complexes","New J. Chem.","2015","39","7","5493","","10.1039/C5NJ00452G","","","0.71073","MoKα","","0.1422","0.074","","","0.1471","0.1741","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054837","9.6624","0.0013","9.8119","0.0011","15.7422","0.0018","90","","104.595","0.004","90","","1444.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-tert-butyl-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl","","- C17 H18 N3 -","- C17 H18 N3 -","- C68 H72 N12 -","4","1","","Takahashi, Yusuke; Miura, Youhei; Yoshioka, Naoki","Synthesis and properties of the 3-tert-butyl-7-trifluoromethyl-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl radical","New J. Chem.","2015","39","6","4783","","10.1039/C5NJ00393H","","","0.71073","MoKα","","0.0929","0.0523","","","0.1345","0.1683","","","","","","0.86","","","","has coordinates","138791","2020-10-21","18:00:00",""
"7054838","5.592","0.002","18.904","0.007","15.882","0.005","90","","92.487","0.011","90","","1677.3","1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-tert-butyl-7-trifluoromethyl-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl","","- C18 H17 F3 N3 -","- C18 H17 F3 N3 -","- C72 H68 F12 N12 -","4","1","","Takahashi, Yusuke; Miura, Youhei; Yoshioka, Naoki","Synthesis and properties of the 3-tert-butyl-7-trifluoromethyl-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl radical","New J. Chem.","2015","39","6","4783","","10.1039/C5NJ00393H","","","0.71073","MoKα","","0.1132","0.0662","","","0.1736","0.2069","","","","","","1.06","","","","has coordinates,has disorder","138791","2020-10-21","18:00:00",""
"7054839","11.0722","0.0003","22.891","0.0007","19.0774","0.0006","90","","98.033","0.001","90","","4787.8","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ti","","- C19 H33 Cl4 N O Ti -","- C19 H33 Cl4 N O Ti -","- C152 H264 Cl32 N8 O8 Ti8 -","8","1","","Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zwitterionic group 4 aminophenolate catalysts for the polymerization of lactides and ethylene","New J. Chem.","2015","39","7","5218","","10.1039/C5NJ00486A","","","0.71073","MoKα","","0.0482","0.0367","","","0.0923","0.0994","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054840","29.4978","0.0015","11.1493","0.0005","21.1407","0.0009","90","","112.578","0.002","90","","6419.9","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","zr1","","- C28 H41 Cl4 N2 O Zr -","- C28 H41 Cl4 N2 O Zr -","- C224 H328 Cl32 N16 O8 Zr8 -","8","1","","Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zwitterionic group 4 aminophenolate catalysts for the polymerization of lactides and ethylene","New J. Chem.","2015","39","7","5218","","10.1039/C5NJ00486A","","","0.71073","MoKα","","0.0517","0.0415","","","0.1146","0.1238","","","","","","1.034","","","","has coordinates,has disorder","143736","2020-10-21","18:00:00",""
"7054841","21.5507","0.0013","11.4122","0.0006","10.7699","0.0006","90","","95.411","0.002","90","","2637","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 Cl4 N2 O2 Zr -","- C21 H34 Cl4 N2 O2 Zr -","- C84 H136 Cl16 N8 O8 Zr4 -","4","1","","Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zwitterionic group 4 aminophenolate catalysts for the polymerization of lactides and ethylene","New J. Chem.","2015","39","7","5218","","10.1039/C5NJ00486A","","","0.71073","MoKα","","0.0535","0.0414","","","0.0956","0.1021","","","","","","1.074","","","","has coordinates","143736","2020-10-21","18:00:00",""
"7054842","20.6487","0.0009","10.3507","0.0004","14.0719","0.0007","90","","99.266","0.002","90","","2968.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tbu_hf","","- C52.14 H80.16 Cl6 Hf N2 O2 -","- C52.14 H80.16 Cl6 Hf N2 O2 -","- C104.28 H160.32 Cl12 Hf2 N4 O4 -","2","0.5","","Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Zwitterionic group 4 aminophenolate catalysts for the polymerization of lactides and ethylene","New J. Chem.","2015","39","7","5218","","10.1039/C5NJ00486A","","","0.71073","MoKα","","0.0507","0.0362","","","0.0888","0.1133","","","","","","1.177","","","","has coordinates,has disorder","143736","2020-10-21","18:00:00",""
"7054843","5.6074","0.0006","14.7841","0.0016","20.027","0.002","90","","90","","90","","1660.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C72 H68 Br4 O8 S4 -","4","1","","Ren, Qiao; Gao, Tao; Li, Wenjun; Wan, Li; Hu, Yimin; Peng, Yanhong; Sun, Shaofa; Hu, Liqiang; Wu, Minghu; Guo, Haibing; Wang, Jian","A highly enantioselective Michael reaction between α,β-unsaturated ketones and malonic acid half-thioesters","New J. Chem.","2015","39","7","5100","","10.1039/C5NJ00719D","","","0.71073","MoKα","","0.032","0.029","","","0.0599","0.0608","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054844","12.385","0.003","12.928","0.003","15.373","0.004","95.319","0.003","111.299","0.003","105.141","0.003","2165","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H55 B F2 N2 O2 -","- C52 H55 B F2 N2 O2 -","- C104 H110 B2 F4 N4 O4 -","2","1","","Richards, Gary James; Gobo, Yuki; Yamamura, Masaki; Nabeshima, Tatsuya","Biphenyl appended BODIPY derivatives showing combined environmental polarity and heavy metal cation sensing functionality","New J. Chem.","2015","39","8","5886","","10.1039/C5NJ00611B","","","0.71073","MoKα","","0.0686","0.0512","","","0.1198","0.1316","","","","","","1.012","","","","has coordinates,has disorder","153253","2020-10-21","18:00:00",""
"7054845","14.0234","0.0006","28.7145","0.0013","11.204","0.0005","90","","115.449","0.002","90","","4073.8","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H45 B F2 N2 O4 -","- C48 H45 B F2 N2 O4 -","- C192 H180 B4 F8 N8 O16 -","4","0.5","","Richards, Gary James; Gobo, Yuki; Yamamura, Masaki; Nabeshima, Tatsuya","Biphenyl appended BODIPY derivatives showing combined environmental polarity and heavy metal cation sensing functionality","New J. Chem.","2015","39","8","5886","","10.1039/C5NJ00611B","","","0.71073","MoKα","","0.0589","0.0457","","","0.1026","0.1103","","","","","","1.021","","","","has coordinates,has disorder","153253","2020-10-21","18:00:00",""
"7054846","8.2271","0.0012","13.429","0.002","13.894","0.002","90","","101.83","0.003","90","","1502.4","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 N2 O6 -","- C17 H10 N2 O6 -","- C68 H40 N8 O24 -","4","1","","Das, Avijit Kumar; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong-Kun","Neighbouring group participation of thiol through aldehyde group assisted thiolysis of active ether: ratiometric and vapor phase fast detection of hydrogen sulfide in mixed aqueous media","New J. Chem.","2015","39","7","5669","","10.1039/C5NJ00689A","","","0.71073","MoKα","","0.0583","0.0393","","","0.1099","0.1257","","","","","","1.047","","","","has coordinates","143724","2020-10-21","18:00:00",""
"7054847","21.9055","0.0019","4.6272","0.0004","13.7499","0.0012","90","","92.655","0.002","90","","1392.2","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 O5 -","- C16 H10 N2 O5 -","- C64 H40 N8 O20 -","4","1","","Das, Avijit Kumar; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong-Kun","Neighbouring group participation of thiol through aldehyde group assisted thiolysis of active ether: ratiometric and vapor phase fast detection of hydrogen sulfide in mixed aqueous media","New J. Chem.","2015","39","7","5669","","10.1039/C5NJ00689A","","","0.71073","MoKα","","0.0763","0.0508","","","0.1392","0.1603","","","","","","1.048","","","","has coordinates","143724","2020-10-21","18:00:00",""
"7054848","9.56","0.004","12.62","0.005","21.55","0.008","88.897","0.007","84.185","0.007","87.425","0.007","2583.7","1.8","150","2","150.03","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H12 Cu6 F36 N12 -","- C36 H12 Cu6 F36 N12 -","- C72 H24 Cu12 F72 N24 -","2","1","","Jayaratna, Naleen B.; Hettiarachchi, Champika V.; Yousufuddin, Muhammed; Rasika Dias, H. V.","Isolable arene sandwiched copper(i) pyrazolates","New J. Chem.","2015","39","7","5092","","10.1039/C5NJ01002K","","","0.71073","MoKα","","0.05","0.0374","","","0.0968","0.1056","","","","","","1.025","","","","has coordinates,has disorder","143729","2020-10-21","18:00:00",""
"7054849","19.975","0.002","19.975","0.002","13.2744","0.0014","90","","90","","120","","4586.9","0.8","150","2","150","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C24 H15 Cu3 F18 N6 -","- C24 H15 Cu3 F18 N6 -","- C144 H90 Cu18 F108 N36 -","6","0.333333","","Jayaratna, Naleen B.; Hettiarachchi, Champika V.; Yousufuddin, Muhammed; Rasika Dias, H. V.","Isolable arene sandwiched copper(i) pyrazolates","New J. Chem.","2015","39","7","5092","","10.1039/C5NJ01002K","","","0.71073","MoKα","","0.0341","0.0275","","","0.0634","0.0659","","","","","","1.032","","","","has coordinates","203907","2020-10-21","18:00:00",""
"7054850","11.7936","0.0011","12.4534","0.0011","12.7263","0.0011","109.803","0.002","117.447","0.002","95.807","0.002","1484.7","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H11 Cu3 F18 N6 -","- C25 H11 Cu3 F18 N6 -","- C50 H22 Cu6 F36 N12 -","2","1","","Jayaratna, Naleen B.; Hettiarachchi, Champika V.; Yousufuddin, Muhammed; Rasika Dias, H. V.","Isolable arene sandwiched copper(i) pyrazolates","New J. Chem.","2015","39","7","5092","","10.1039/C5NJ01002K","","","0.71073","MoKα","","0.0235","0.0223","","","0.0569","0.0576","","","","","","1.04","","","","has coordinates,has disorder","143729","2020-10-21","18:00:00",""
"7054851","10.0903","0.0005","10.8463","0.0005","21.9151","0.0011","90","","93.491","0.004","90","","2394","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H37 K O2 Si2 -","- C19 H37 K O2 Si2 -","- C76 H148 K4 O8 Si8 -","4","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","x-ray","0.71073","MoKα","","0.0642","0.0549","","","0.1377","0.1456","","","","","","1.053","","","","has coordinates,has disorder","162066","2020-10-21","18:00:00",""
"7054852","10.7116","0.0019","11.485","0.003","13.285","0.003","72.517","0.019","83.217","0.015","79.146","0.017","1527.7","0.6","100.03","0.11","100.03","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C44 H84 I2 La2 Si8 -","- C44 H84 I2 La2 Si8 -","- C44 H84 I2 La2 Si8 -","1","0.5","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.1663","0.0976","","","0.1642","0.2255","","","","","","1.06","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054853","10.7177","0.0007","11.5326","0.0007","13.3332","0.0008","72.794","0.005","83.327","0.005","78.87","0.005","1541.59","0.17","150.02","0.11","150.02","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C44 H84 Ce2 I2 Si8 -","- C44 H84 Ce2 I2 Si8 -","- C44 H84 Ce2 I2 Si8 -","1","0.5","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.0676","0.0534","","","0.0887","0.0949","","","","","","1.086","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054854","11.0319","0.0004","16.0851","0.0011","20.1692","0.0007","90","","90","","90","","3579","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 I La O Si4 -","- C26 H50 I La O Si4 -","- C104 H200 I4 La4 O4 Si16 -","4","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.0527","0.0453","","","0.081","0.0846","","","","","","1.097","","","","has coordinates,has disorder","162066","2020-10-21","18:00:00",""
"7054855","10.5085","0.0005","11.3227","0.0004","23.7712","0.0008","90.523","0.003","98.515","0.003","104.372","0.003","2706.58","0.19","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H84 Ce2 I2 -","- C52 H84 Ce2 I2 -","- C104 H168 Ce4 I4 -","2","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.0561","0.0393","","","0.0641","0.0728","","","","","","1.025","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054856","11.8979","0.0007","14.6707","0.0007","37.397","0.002","90","","90","","90","","6527.7","0.6","150.01","0.11","150.01","0.11","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H45 Ce I2 O2 Si3 -","- C22 H45 Ce I2 O2 Si3 -","- C176 H360 Ce8 I16 O16 Si24 -","8","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.1065","0.0589","","","0.07","0.0802","","","","","","1.073","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054857","16.9173","0.0004","13.045","0.0003","20.6985","0.0006","90","","92.959","0.002","90","","4561.8","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H66 Ce I O Si6 -","- C32 H66 Ce I O Si6 -","- C128 H264 Ce4 I4 O4 Si24 -","4","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.057","0.0416","","","0.0725","0.0802","","","","","","1.024","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054858","38.4377","0.0014","17.9044","0.0005","25.5605","0.0007","90","","109.755","0.003","90","","16555.6","0.9","150.02","0.1","150.02","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H65 Ce N2 Si7 -","- C26 H65 Ce N2 Si7 -","- C416 H1040 Ce16 N32 Si112 -","16","2","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","x-ray","0.71073","MoKα","","0.1311","0.0957","","","0.2443","0.2851","","","","","","1.025","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054859","19.1506","0.0011","8.9975","0.0005","24.1828","0.0014","90","","108.305","0.001","90","","3956","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H61 Al N O Y -","- C35 H61 Al N O Y -","- C140 H244 Al4 N4 O4 Y4 -","4","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.0577","0.0413","","","0.0893","0.095","","","","","","1.031","","","","has coordinates","162052","2020-10-21","18:00:00",""
"7054860","9.1367","0.0003","12.1049","0.0004","13.2803","0.0004","77.756","0.001","81.137","0.001","88.071","0.001","1418.24","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 Al2 Lu N -","- C26 H42 Al2 Lu N -","- C52 H84 Al4 Lu2 N2 -","2","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.0153","0.0143","","","0.0367","0.0372","","","","","","1.106","","","","has coordinates","162052","2020-10-21","18:00:00",""
"7054861","12.109","0.0003","13.67","0.0003","13.7168","0.0003","105.191","0.001","113.695","0.001","106.489","0.001","1801.47","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 Al Lu N2 -","- C39 H56 Al Lu N2 -","- C78 H112 Al2 Lu2 N4 -","2","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.022","0.0179","","","0.0407","0.042","","","","","","1.034","","","","has coordinates","162052","2020-10-21","18:00:00",""
"7054862","6.8749","0.0003","19.6763","0.0008","12.1047","0.0005","90","","124.608","0.002","90","","1347.7","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 Al N -","- C13 H25.9992 Al N -","- C52 H103.997 Al4 N4 -","4","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.0417","0.0383","","","0.103","0.1049","","","","","","1.113","","","","has coordinates,has disorder","162052","2020-10-21","18:00:00",""
"7054863","9.4592","0.0004","12.2445","0.0005","14.0256","0.0006","68.379","0.002","80.349","0.001","82.208","0.002","1483.98","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Al N2 Y -","- C32 H46 Al N2 Y -","- C64 H92 Al2 N4 Y2 -","2","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.0382","0.0346","","","0.0913","0.0933","","","","","","1.035","","","","has coordinates","162052","2020-10-21","18:00:00",""
"7054864","49.6386","0.0013","12.3116","0.0003","35.9711","0.0016","90","","131.598","0.001","90","","16439.4","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H142 Al2 N2 Y2 -","- C76 H142 Al2 N2 Y2 -","- C608 H1136 Al16 N16 Y16 -","8","1","","Schädle, Dorothea; Enders, Markus; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner","Reactivity of halfsandwich rare-earth metal methylaluminates toward potassium (2,4,6-tri-tert-butylphenyl)amide and 1-adamantylamine","New J. Chem.","2015","39","10","7640","","10.1039/C5NJ00800J","","","0.71073","MoKα","","0.0819","0.0687","","","0.1523","0.1579","","","","","","1.165","","","","has coordinates","162052","2020-10-21","18:00:00",""
"7054865","10.9907","0.0006","11.3474","0.0006","15.5308","0.0008","78.443","0.001","85.233","0.001","72.758","0.001","1811.81","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Bi2 Cl10 N4 O2 -","- C24 H32 Bi2 Cl10 N4 O2 -","- C48 H64 Bi4 Cl20 N8 O4 -","2","1","","Adonin, Sergey A.; Rakhmanova, Marianna E.; Smolentsev, Anton I.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Binuclear Bi(iii) halide complexes with 4,4′-ethylenepyridinium cations: luminescence tuning by reversible solvation","New J. Chem.","2015","39","7","5529","","10.1039/C5NJ00889A","","","0.71073","","","0.0166","0.0137","","","0.0336","0.0347","","","","","","1.056","","","","has coordinates","143726","2020-10-21","18:00:00",""
"7054866","9.9694","0.0004","10.7558","0.0005","10.8145","0.0005","63.208","0.001","68.53","0.001","81.138","0.001","963.23","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Bi2 Br10 N4 O2 -","- C24 H32.02 Bi2 Br10 N4 O2 -","- C24 H32.02 Bi2 Br10 N4 O2 -","1","0.5","","Adonin, Sergey A.; Rakhmanova, Marianna E.; Smolentsev, Anton I.; Korolkov, Ilya V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Binuclear Bi(iii) halide complexes with 4,4′-ethylenepyridinium cations: luminescence tuning by reversible solvation","New J. Chem.","2015","39","7","5529","","10.1039/C5NJ00889A","","","0.71073","","","0.0313","0.0223","","","0.0474","0.0491","","","","","","1.028","","","","has coordinates","143726","2020-10-21","18:00:00",""
"7054867","11.126","0.009","8.548","0.007","13.382","0.01","90","","96.17","0.014","90","","1265.3","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N2 O3 -","- C12 H12 Cl N2 O3 -","- C48 H48 Cl4 N8 O12 -","4","2","","Xia, Ai-Bao; Zhang, Xiao-Long; Wang, Tao; Du, Xiao-Hua; Xu, Dan-Qian; Xu, Zhen-Yuan","Enantioselective synthesis of functionalized 3,4-disubstituted dihydro-2(1H)-quinolinones via Michael‒hemiaminalization/oxidation reaction","New J. Chem.","2015","39","7","5088","","10.1039/C4NJ01718H","","","0.71073","MoKα","","0.0437","0.0368","","","0.1001","0.1049","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054868","8.7793","0.0015","8.4442","0.0015","23.81","0.004","90","","97.312","0.006","90","","1750.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F2 N2 O3 S -","- C18 H18 F2 N2 O3 S -","- C72 H72 F8 N8 O12 S4 -","4","1","","Zhang, Hui-Zhen; Jeyakkumar, Ponmani; Vijaya Kumar, Kannekanti; Zhou, Cheng-He","Synthesis of novel sulfonamide azoles via C‒N cleavage of sulfonamides by azole ring and relational antimicrobial study","New J. Chem.","2015","39","7","5776","","10.1039/C4NJ01932F","","","0.71073","MoKα","","0.0524","0.0468","","","0.1367","0.1432","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054869","12.9357","0.0016","19.6992","0.0007","7.3342","0.0009","90","","139.81","0.03","90","","1206.1","0.8","291","2","291.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","1","","Zhang, Hui-Zhen; Jeyakkumar, Ponmani; Vijaya Kumar, Kannekanti; Zhou, Cheng-He","Synthesis of novel sulfonamide azoles via C‒N cleavage of sulfonamides by azole ring and relational antimicrobial study","New J. Chem.","2015","39","7","5776","","10.1039/C4NJ01932F","","","1.54184","CuKα","","0.0425","0.0398","","","0.1014","0.106","","","","","","1.044","","","","has coordinates","143720","2020-10-21","18:00:00",""
"7054870","8.3155","0.0002","11.8276","0.0003","17.5749","0.0005","88.157","0.001","89.051","0.001","75.447","0.001","1672.15","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H53 N3 Si6 Te U -","- C18 H53 N3 Si6 Te U -","- C36 H106 N6 Si12 Te2 U2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Reactivity of [U(CH2SiMe2NSiMe3)(NR2)2] (R = SiMe3) with elemental chalcogens: towards a better understanding of chalcogen atom transfer in the actinides","New J. Chem.","2015","39","10","7563","","10.1039/C5NJ00739A","","","0.71073","MoKα","","0.0264","0.0213","","","0.0464","0.0479","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054871","15.6285","0.0012","20.3969","0.0016","14.6493","0.0013","90","","100.297","0.004","90","","4594.6","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H74 K N3 O2 S2 Si6 U -","- C26 H74 K N3 O2 S2 Si6 U -","- C104 H296 K4 N12 O8 S8 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Reactivity of [U(CH2SiMe2NSiMe3)(NR2)2] (R = SiMe3) with elemental chalcogens: towards a better understanding of chalcogen atom transfer in the actinides","New J. Chem.","2015","39","10","7563","","10.1039/C5NJ00739A","","","0.71073","MoKα","","0.0224","0.0174","","","0.0385","0.0399","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054872","20.835","0.003","14.682","0.002","23.143","0.003","90","","115.188","0.006","90","","6406.3","1.5","143","1","143","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H87 Ce F3 K N6 O6 S -","- C61 H87 Ce F3 K N6 O6 S -","- C244 H348 Ce4 F12 K4 N24 O24 S4 -","4","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0798","0.0611","","","0.1329","0.1482","","","","","","1.098","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054873","14.4458","0.0009","14.7681","0.0009","15.4079","0.001","92.43","0.003","91.434","0.003","110.149","0.003","3080.4","0.3","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C63 H86 Ce K N6 O4 -","- C63 H86 Ce K N6 O4 -","- C126 H172 Ce2 K2 N12 O8 -","2","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0239","0.0215","","","0.0541","0.0559","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054874","12.1981","0.0009","13.1778","0.001","19.5063","0.0013","97.217","0.004","96.618","0.004","98.276","0.004","3049.8","0.4","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H92 Ce K N6 O4 -","- C64 H84 Ce K N6 O4 -","- C128 H168 Ce2 K2 N12 O8 -","2","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0429","0.0345","","","0.0781","0.0817","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054875","11.3184","0.0008","13.5855","0.0011","23.2211","0.0017","85.902","0.004","76.841","0.004","77.042","0.004","3387.5","0.4","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H96 Ce K N6 O4 -","- C53 H84 Ce K N6 O4 -","- C106 H168 Ce2 K2 N12 O8 -","2","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0524","0.0462","","","0.1361","0.1434","","","","","","0.777","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054876","11.7314","0.0012","16.311","0.0015","24.948","0.002","90","","97.884","0.005","90","","4728.7","0.8","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H68 Ce K N6 O4 -","- C45 H68 Ce K N6 O4 -","- C180 H272 Ce4 K4 N24 O16 -","4","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0335","0.0279","","","0.0732","0.075","","","","","","1.188","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054877","26.329","0.003","14.3707","0.0013","33.138","0.003","90","","109.328","0.005","90","","11832","2","143","1","143","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H84 Ce K N4 O4 -","- C57 H84 Ce K N4 O4 -","- C456 H672 Ce8 K8 N32 O32 -","8","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0774","0.0623","","","0.1331","0.1386","","","","","","1.287","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054878","49.697","0.005","49.697","0.005","10.6526","0.0012","90","","90","","120","","22785","4","143","1","143","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C45 H74 Ce K N6 O4 -","- C43 H72 Ce K N6 O4 -","- C774 H1296 Ce18 K18 N108 O72 -","18","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.1606","0.0649","","","0.1335","0.171","","","","","","0.8","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054879","10.5168","0.0005","14.2353","0.0007","19.0676","0.001","94.568","0.003","100.046","0.002","110.486","0.003","2602.3","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H76 Ce K N6 O4 -","- C49.5 H76 Ce K N6 O4 -","- C99 H152 Ce2 K2 N12 O8 -","2","1","","Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.","Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions","New J. Chem.","2015","39","8","6076","","10.1039/C5NJ00848D","","","0.71073","MoKα","","0.0294","0.0262","","","0.0633","0.065","","","","","","1.088","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7054880","12.8015","0.0006","21.5451","0.0008","13.7718","0.0008","90","","112.598","0.006","90","","3506.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H29 F2 Ir N2 O4 -","- C43 H29 F2 Ir N2 O4 -","- C172 H116 F8 Ir4 N8 O16 -","4","1","","Niu, Zhi-Gang; Zheng, Tao; Su, You-Hui; Wang, Peng-Jiang; Li, Xiao-Yan; Cui, Feng; Liang, Jiao; Li, Gao-Nan","Highly phosphorescent iridium(iii) complexes based on 2-(biphenyl-4-yl)benzo[d]oxazole derivatives: synthesis, structures, properties and DFT calculations","New J. Chem.","2015","39","8","6025","","10.1039/C5NJ00975H","","","0.71","MoKα","","0.0769","0.048","","","0.1051","0.1186","","","","","","1.026","","","","has coordinates","153249","2020-10-21","18:00:00",""
"7054881","11.2055","0.0003","12.7447","0.0005","14.5575","0.0005","65.313","0.004","87.69","0.002","77.97","0.003","1844.91","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H35 Ir N2 O4 -","- C45 H35 Ir N2 O4 -","- C90 H70 Ir2 N4 O8 -","2","1","","Niu, Zhi-Gang; Zheng, Tao; Su, You-Hui; Wang, Peng-Jiang; Li, Xiao-Yan; Cui, Feng; Liang, Jiao; Li, Gao-Nan","Highly phosphorescent iridium(iii) complexes based on 2-(biphenyl-4-yl)benzo[d]oxazole derivatives: synthesis, structures, properties and DFT calculations","New J. Chem.","2015","39","8","6025","","10.1039/C5NJ00975H","","","1.54184","CuKα","","0.029","0.0245","","","0.0579","0.0606","","","","","","1.077","","","","has coordinates","153249","2020-10-21","18:00:00",""
"7054882","10.0973","0.0003","24.018","0.0009","14.6736","0.0004","90","","100.473","0.003","90","","3499.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 Ir N2 O4 -","- C43 H31 Ir N2 O4 -","- C172 H124 Ir4 N8 O16 -","4","1","","Niu, Zhi-Gang; Zheng, Tao; Su, You-Hui; Wang, Peng-Jiang; Li, Xiao-Yan; Cui, Feng; Liang, Jiao; Li, Gao-Nan","Highly phosphorescent iridium(iii) complexes based on 2-(biphenyl-4-yl)benzo[d]oxazole derivatives: synthesis, structures, properties and DFT calculations","New J. Chem.","2015","39","8","6025","","10.1039/C5NJ00975H","","","0.71073","MoKα","","0.059","0.0385","","","0.0698","0.0765","","","","","","1.065","","","","has coordinates","153249","2020-10-21","18:00:00",""
"7054883","14.8134","0.00016","14.8134","0.00016","17.0733","0.0004","90","","90","","90","","3746.51","0.1","120","0.1","120","0.1","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C43.5 H27 Cl2 F4 Ir N2 O4 -","- C43.5 H27 Cl2 F4 Ir N2 O4 -","- C174 H108 Cl8 F16 Ir4 N8 O16 -","4","","","Niu, Zhi-Gang; Zheng, Tao; Su, You-Hui; Wang, Peng-Jiang; Li, Xiao-Yan; Cui, Feng; Liang, Jiao; Li, Gao-Nan","Highly phosphorescent iridium(iii) complexes based on 2-(biphenyl-4-yl)benzo[d]oxazole derivatives: synthesis, structures, properties and DFT calculations","New J. Chem.","2015","39","8","6025","","10.1039/C5NJ00975H","","","0.71073","MoKα","","0.0485","0.0329","","","0.0796","0.0901","","","","","","1.054","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7054884","18.1422","0.0004","18.1422","0.0004","25.8426","0.0005","90","","90","","120","","7366.3","0.3","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C45 H33 Cl6 N9 Zn3 -","- C45 H33 Cl6 N9 Zn3 -","- C270 H198 Cl36 N54 Zn18 -","6","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","","1.54184","CuKα","","0.0608","0.0516","","","0.1505","0.1574","","","","","","1.072","","","","has coordinates","153250","2020-10-21","18:00:00",""
"7054885","16.1561","0.0008","16.1561","0.0008","31.8535","0.0014","90","","90","","120","","7200.5","0.6","160","10","160","10","","","","","","","","6","R -3","-R 3","148","","","","- C92 H68 Cd6 Cl18 N18 O0.5 -","- C92 H68 Cd6 Cl18 N18 O0.5 -","- C276 H204 Cd18 Cl54 N54 O1.5 -","3","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","x-ray","1.54184","CuKα","","0.1087","0.0766","","","0.1987","0.2267","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7054886","17.976","0.002","17.976","0.002","27.338","0.003","90","","90","","120","","7650.4","1.5","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C45 H33 Br8 Hg4 N9 -","- C45 H33 Br8 Hg4 N9 -","- C270 H198 Br48 Hg24 N54 -","6","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","","0.71073","MoKα","","0.1625","0.0791","","","0.1766","0.2219","","","","","","1.045","","","","has coordinates","153250","2020-10-21","18:00:00",""
"7054887","18.3083","0.0007","18.3083","0.0007","29.1307","0.0008","90","","90","","120","","8456.2","0.5","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C45 H33 Hg4 I8 N9 -","- C45 H33 Hg4 I8 N9 -","- C270 H198 Hg24 I48 N54 -","6","","","Zhao, Jin'an; Peng, Kun; Guo, Yan; Zhang, Jin; Chen, Shufang; Hu, Jiyong","Photoluminescent and cytotoxic properties of multinuclear complexes and multinuclear-based polymers with group 12 metals and a tripodal ligand","New J. Chem.","2015","39","8","6016","","10.1039/C5NJ00222B","","","0.71073","MoKα","","0.0899","0.0516","","","0.118","0.1379","","","","","","1.03","","","","has coordinates","153250","2020-10-21","18:00:00",""
"7054888","6.1617","0.0008","10.5098","0.0013","17.3476","0.0017","90","","98.607","0.01","90","","1110.7","0.2","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N2 P -","- C26 H29 N2 P -","- C52 H58 N4 P2 -","2","1","","Ma, Wangyang; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng","Half-sandwich rare-earth metal tris(alkyl) ate complexes catalyzed phosphaguanylation reaction of phosphines with carbodiimides: an efficient synthesis of phosphaguanidines","New J. Chem.","2015","39","10","7649","","10.1039/C5NJ01136A","","","0.71073","MoKα","","0.0618","0.0508","","","0.1192","0.129","","","","","","1.039","","","","has coordinates","162057","2020-10-21","18:00:00",""
"7054889","9.1198","0.0005","9.6075","0.0005","14.3241","0.0008","94.951","0.002","98.05","0.003","92.029","0.002","1236.62","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(iron(II)-benzenedisulfonate)(N-methylpyrrolidone)","","","- C21 H31 Fe N3 O9 S2 -","- C21 H31 Fe N3 O9 S2 -","- C42 H62 Fe2 N6 O18 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Wickleder, Mathias S.","1,4-Benzenedisulfonic acid (H2BDS) as terephthalic acid analogue for the preparation of coordination polymers: the examples of M(BDS)(NMP)3(M = Mn, Fe, Co; NMP = N-methylpyrrolidone)","New J. Chem.","2015","39","8","6117","","10.1039/C5NJ00223K","","","0.71073","MoKα","","0.0278","0.0238","","","0.0689","0.0705","","","","","","1.069","","","","has coordinates","153259","2020-10-21","18:00:00",""
"7054890","9.1132","0.0011","9.5953","0.0012","14.2855","0.0017","94.791","0.005","98.229","0.005","91.873","0.006","1230.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(cobalt(II)-benzenedisulfonate)(N-methylpyrrolidone)","","","- C21 H31 Co N3 O9 S2 -","- C21 H31 Co N3 O9 S2 -","- C42 H62 Co2 N6 O18 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Wickleder, Mathias S.","1,4-Benzenedisulfonic acid (H2BDS) as terephthalic acid analogue for the preparation of coordination polymers: the examples of M(BDS)(NMP)3(M = Mn, Fe, Co; NMP = N-methylpyrrolidone)","New J. Chem.","2015","39","8","6117","","10.1039/C5NJ00223K","","","0.71073","MoKα","","0.0344","0.0264","","","0.0684","0.072","","","","","","1.024","","","","has coordinates","153259","2020-10-21","18:00:00",""
"7054891","9.1684","0.0003","9.6557","0.0003","14.3787","0.0005","95.2967","0.0017","97.8338","0.0017","92.5755","0.0017","1253.51","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(manganese(II)-benzenedisulfonate)(N-methylpyrrolidone)","","","- C21 H31 Mn N3 O9 S2 -","- C21 H31 Mn N3 O9 S2 -","- C42 H62 Mn2 N6 O18 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Wickleder, Mathias S.","1,4-Benzenedisulfonic acid (H2BDS) as terephthalic acid analogue for the preparation of coordination polymers: the examples of M(BDS)(NMP)3(M = Mn, Fe, Co; NMP = N-methylpyrrolidone)","New J. Chem.","2015","39","8","6117","","10.1039/C5NJ00223K","","","0.71073","MoKα","","0.0482","0.03","","","0.0701","0.0745","","","","","","0.936","","","","has coordinates","153259","2020-10-21","18:00:00",""
"7054892","14.4054","0.0013","6.3686","0.0005","25.906","0.003","90","","101.775","0.01","90","","2326.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-methoxyphenyl)bezothiazole","","- C22.4 H17.6 N1.6 O1.6 S1.6 -","- C22.4 H17.6 N1.6 O1.6 S1.6 -","- C112 H88 N8 O8 S8 -","5","1.25","","Sharma, Pankaj; Gupta, Monika; Kant, Rajni; Gupta, Vivek K.","Formation of a nanorod shaped ionogel and its high catalytic activity for one-pot synthesis of benzothiazoles","New J. Chem.","2015","39","7","5116","","10.1039/C5NJ00454C","","","0.71073","MoKα","","0.2778","0.1935","","","0.4242","0.4848","","","","","","1.061","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7054893","6.4256","0.0002","12.2609","0.0004","13.0947","0.0005","94.561","0.002","101.729","0.002","94.97","0.002","1001.31","0.06","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C19 H16 Br N2 O7 Re -","- C19 H16 Br N2 O7 Re -","- C38 H32 Br2 N4 O14 Re2 -","2","1","","Carreño, Alexander; Gacitua, Manuel; Schott, Eduardo; Zarate, Ximena; Manriquez, Juan Manuel; Preite, Marcelo; Ladeira, Sonia; Castel, Annie; Pizarro, Nancy; Vega, Andrés; Chavez, Ivonne; Arratia-Perez, Ramiro","Experimental and theoretical studies of the ancillary ligand (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol in the rhenium(i) core","New J. Chem.","2015","39","7","5725","","10.1039/C5NJ00772K","","x-ray","0.71073","MoKα","","0.0347","0.0326","","","0.0786","0.0795","","","","","","1.196","","","","has coordinates,has disorder","143728","2020-10-21","18:00:00",""
"7054894","7.2519","0.0003","11.3182","0.0005","13.2908","0.0007","91.507","0.002","98.145","0.003","94.768","0.002","1075.35","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(3-methylphenyl)-2-{2-[(2-oxo-2H-chromen-3-yl)methoxy]benzylidene}hydrazinecarbothioamide","","- C25 H21 N3 O3 S -","- C25 H21 N3 O3 S -","- C50 H42 N6 O6 S2 -","2","1","","Hameed, Aminah; Shafiq, Zahid; Yaqub, Muhammad; Hussain, Mazhar; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam","Robustness of a thioamide {⋯H‒N‒CS}2synthon: synthesis and the effect of substituents on the formation of layered to cage-like supramolecular networks in coumarin‒thiosemicarbazone hybrids","New J. Chem.","2015","39","8","6052","","10.1039/C5NJ00734H","","","0.71073","MoKα","","0.0453","0.0362","","","0.0969","0.1052","","","","","","1.023","","","","has coordinates","153257","2020-10-21","18:00:00",""
"7054895","13.2436","0.0006","18.3753","0.001","19.6353","0.0011","90","","102.698","0.002","90","","4661.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-N-(2,4-dichlorophenyl)-2-(2,3,4,4a-tetrahydro-1H-xanthen-1-ylidene)hydrazinecarbothioamide","","- C52 H46 N6 O9 S2 -","- C52 H46 N6 O9 S2 -","- C208 H184 N24 O36 S8 -","4","1","","Hameed, Aminah; Shafiq, Zahid; Yaqub, Muhammad; Hussain, Mazhar; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam","Robustness of a thioamide {⋯H‒N‒CS}2synthon: synthesis and the effect of substituents on the formation of layered to cage-like supramolecular networks in coumarin‒thiosemicarbazone hybrids","New J. Chem.","2015","39","8","6052","","10.1039/C5NJ00734H","","","0.71073","MoKα","","0.0767","0.0436","","","0.1013","0.12","","","","","","1.015","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7054896","16.0381","0.0011","9.7005","0.0007","15.3686","0.0009","90","","108.349","0.002","90","","2269.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2E)-N-(2,4-dichlorophenyl)-2-{2-[(2-oxo-2H-chromen-3-yl)methoxy]benzylidene}hydrazinecarbothioamide","","- C24 H17 Cl2 N3 O3 S -","- C24 H17 Cl2 N3 O3 S -","- C96 H68 Cl8 N12 O12 S4 -","4","1","","Hameed, Aminah; Shafiq, Zahid; Yaqub, Muhammad; Hussain, Mazhar; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam","Robustness of a thioamide {⋯H‒N‒CS}2synthon: synthesis and the effect of substituents on the formation of layered to cage-like supramolecular networks in coumarin‒thiosemicarbazone hybrids","New J. Chem.","2015","39","8","6052","","10.1039/C5NJ00734H","","","0.71073","MoKα","","0.0618","0.0394","","","0.0951","0.1076","","","","","","1.023","","","","has coordinates","153257","2020-10-21","18:00:00",""
"7054897","9.6658","0.0012","13.5399","0.0017","11.4516","0.0013","90","","98.777","0.012","90","","1481.2","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 N4 Ni O10 -","- C28 H36 N4 Ni O10 -","- C56 H72 N8 Ni2 O20 -","2","1","","Wojciechowska, Agnieszka; Janczak, Jan; Staszak, Zbigniew; Duczmal, Marek; Zierkiewicz, Wiktor; Tokar, Jadwiga; Ozarowski, Andrew","Structural, spectroscopic, magnetic behavior and DFT investigations ofl-tyrosinato nickel(ii) coordination polymer","New J. Chem.","2015","39","9","6813","","10.1039/C5NJ00972C","","","0.71073","MoKα","","0.2051","0.0854","","","0.073","0.0944","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054898","12.7123","0.001","20.3964","0.0015","24.7167","0.0019","90","","90","","90","","6408.7","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 Si4 Th -","- C28 H48 Si4 Th -","- C224 H384 Si32 Th8 -","8","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0605","0.0372","","","0.074","0.0835","","","","","","1.022","","","","has coordinates","162127","2020-10-21","18:00:00",""
"7054899","12.6598","0.0012","20.3542","0.0018","24.645","0.002","90","","90","","90","","6350.5","1","473","2","473","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 Si4 U -","- C28 H48 Si4 U -","- C224 H384 Si32 U8 -","8","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0362","0.0238","","","0.065","0.0838","","","","","","1.17","","","","has coordinates","162127","2020-10-21","18:00:00",""
"7054900","20.999","0.0012","25.1674","0.0015","17.8458","0.001","90","","114.316","0.001","90","","8594.7","0.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H64 Si6 Th -","- C34 H64 Si6 Th -","- C272 H512 Si48 Th8 -","8","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0462","0.0301","","","0.0601","0.0675","","","","","","1.035","","","","has coordinates","162127","2020-10-21","18:00:00",""
"7054901","23.381","0.003","21.17","0.003","18.125","0.002","90","","107.923","0.002","90","","8536.1","1.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H128 Si12 U2 -","- C68 H128 Si12 U2 -","- C272 H512 Si48 U8 -","4","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0856","0.0421","","","0.0858","0.1127","","","","","","1.128","","","","has coordinates,has disorder","162127","2020-10-21","18:00:00",""
"7054902","11.358","0.002","11.657","0.002","19.603","0.004","87.12","0.03","82.38","0.03","77.39","0.03","2509.9","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H80 Ho Li O4 Si4 -","- C44 H80 Ho Li O4 Si4 -","- C88 H160 Ho2 Li2 O8 Si8 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0735","0.0491","","","0.0805","0.0859","","","","","","1.034","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054903","11.358","0.002","11.657","0.002","19.603","0.004","87.12","0.03","82.38","0.03","77.39","0.03","2509.9","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H80 Li O4 Si4 Tm -","- C44 H80 Li O4 Si4 Tm -","- C88 H160 Li2 O8 Si8 Tm2 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0408","0.039","","","0.1003","0.1015","","","","","","1.104","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054904","11.557","0.002","12.262","0.003","18.34","0.004","98.83","0.03","102.56","0.03","98.57","0.03","2461.5","1","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 La Li O6 Si4 -","- C40 H78 La Li O6 Si4 -","- C80 H156 La2 Li2 O12 Si8 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0467","0.0381","","","0.0917","0.0944","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054905","11.532","0.002","12.286","0.003","18.388","0.004","98.82","0.03","102.49","0.03","99.04","0.03","2464.1","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Li O6 Pr Si4 -","- C40 H78 Li O6 Pr Si4 -","- C80 H156 Li2 O12 Pr2 Si8 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0304","0.0267","","","0.0648","0.0662","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054906","11.428","0.002","12.216","0.002","18.406","0.004","98.84","0.03","102.36","0.03","99.44","0.03","2428","0.9","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Gd Li O6 Si4 -","- C40 H78 Gd Li O6 Si4 -","- C80 H156 Gd2 Li2 O12 Si8 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0379","0.0333","","","0.0865","0.0883","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054907","11.445","0.002","12.219","0.002","18.477","0.004","99.13","0.03","102.2","0.03","99.68","0.03","2438.5","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Li O6 Si4 Y -","- C40 H78 Li O6 Si4 Y -","- C80 H156 Li2 O12 Si8 Y2 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0697","0.0467","","","0.0949","0.1018","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054908","11.471","0.002","12.051","0.002","18.459","0.004","99.79","0.03","101.72","0.03","100.05","0.03","2403.7","0.9","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Li Lu O6 Si4 -","- C40 H78 Li Lu O6 Si4 -","- C80 H156 Li2 Lu2 O12 Si8 -","2","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0597","0.0557","","","0.1447","0.1473","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054909","12.111","0.0004","7.1701","0.0003","13.5948","0.0005","90","","98.151","0.003","90","","1168.61","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Ni O4 S4 -","- C22 H22 Ni O4 S4 -","- C44 H44 Ni2 O8 S8 -","2","1","","Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai","Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes","New J. Chem.","2015","39","8","6358","","10.1039/C5NJ00765H","","","0.71073","MoKα","","0.045","0.0343","","","0.0729","0.0781","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054910","12.2291","0.0009","4.016","0.0004","23.0003","0.0015","75.3","0.007","84.316","0.006","69.691","0.008","1024.62","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 F2 Ni O2 S4 -","- C20 H16 F2 Ni O2 S4 -","- C40 H32 F4 Ni2 O4 S8 -","2","1","","Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai","Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes","New J. Chem.","2015","39","8","6358","","10.1039/C5NJ00765H","","","0.71073","MoKα","","0.0904","0.0545","","","0.1001","0.1191","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054911","24.946","0.004","5.8062","0.001","17.003","0.003","90","","91.8","0.013","90","","2461.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ni O2 S4 -","- C28 H22 Ni O2 S4 -","- C112 H88 Ni4 O8 S16 -","4","1","","Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai","Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes","New J. Chem.","2015","39","8","6358","","10.1039/C5NJ00765H","","","0.71073","MoKα","","0.1046","0.0664","","","0.1555","0.178","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054912","17.4781","0.0005","17.4781","0.0005","15.3714","0.0004","90","","90","","90","","4695.7","0.2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H22 O4 Pd S4 -","- C22 H22 O4 Pd S4 -","- C176 H176 O32 Pd8 S32 -","8","0.5","","Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai","Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes","New J. Chem.","2015","39","8","6358","","10.1039/C5NJ00765H","","","0.71073","MoKα","","0.0526","0.0327","","","0.075","0.0811","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054913","13.3438","0.0005","16.6915","0.0007","11.665","0.0005","90","","106.87","0.004","90","","2486.31","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O2 Pt S4 -","- C28 H22 O2 Pt S4 -","- C112 H88 O8 Pt4 S16 -","4","1","","Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai","Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes","New J. Chem.","2015","39","8","6358","","10.1039/C5NJ00765H","","","0.71073","MoKα","","0.0839","0.0498","","","0.0819","0.0942","","","","","","0.925","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054914","9.3992","0.0008","16.827","0.0011","10.9101","0.0009","90","","112.042","0.01","90","","1599.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-4-(4-chlorophenyl)-6,6,8,8-tetrahydro-7, 7-dimethyl-5-oxo-4H-chromene-3-carbonitrile","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","","Gupta, Manjulla; Gupta, Monika; Rajnikant, Rajnikant; Gupta, Vivek K.","Salicyldimine-based Schiff's complex of copper(ii) as an efficient catalyst for the synthesis of nitrogen and oxygen heterocycles","New J. Chem.","2015","39","5","3578","","10.1039/C4NJ02391A","","","0.71073","MoKα","","0.0794","0.0472","","","0.1039","0.1209","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054915","7.2856","0.0005","18.1056","0.0011","27.2497","0.0014","90","","90","","90","","3594.5","0.4","171.2","","171.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Z)-1-(4-(dimethylamino)phenyl)-2-(phenanthridin-6-yl)ethenol difluoroboron","","- C23 H19 B F2 N2 O -","- C23 H19 B F2 N2 O -","- C184 H152 B8 F16 N16 O8 -","8","1","","Wu, Ding-Er; Lu, Xiao-Lin; Xia, Min","Study on the solution and solid-state fluorescence of novel BF2complexes with (Z)-2-[phenanthridin-6(5H)-ylidene]-1-phenylethanone and its derivatives as ligands","New J. Chem.","2015","39","8","6465","","10.1039/C5NJ00926J","","","0.71073","MoKα","","0.0633","0.0414","","","0.0935","0.1039","","","","","","1.029","","","","has coordinates","153251","2020-10-21","18:00:00",""
"7054916","30.2538","0.0015","7.7757","0.0004","13.4669","0.0008","90","","90","","90","","3168","0.3","293","2","293.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","(Z)-2-(phenanthridin-6-yl)-1-phenylethenol difluoroboron","","- C21 H14 B F2 N O -","- C21 H14 B F2 N O -","- C168 H112 B8 F16 N8 O8 -","8","2","","Wu, Ding-Er; Lu, Xiao-Lin; Xia, Min","Study on the solution and solid-state fluorescence of novel BF2complexes with (Z)-2-[phenanthridin-6(5H)-ylidene]-1-phenylethanone and its derivatives as ligands","New J. Chem.","2015","39","8","6465","","10.1039/C5NJ00926J","","","0.71073","MoKα","","0.0525","0.0372","","","0.0771","0.0848","","","","","","1.059","","","","has coordinates","153251","2020-10-21","18:00:00",""
"7054919","5.8652","0.0005","9.6315","0.0008","34.423","0.002","90","","94.403","0.007","90","","1938.8","0.3","175","","175","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.1074","0.0739","","0.0518","0.0467","0.0467","","","","","","1.1624","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054920","9.1728","0.0005","13.3311","0.0005","13.1709","0.0006","90","","107.107","0.005","90","","1539.33","0.13","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.0719","0.0629","","0.0609","0.0599","0.0599","","","","","","0.9423","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054921","4.6306","0.0008","8.8802","0.0017","23.893","0.003","95.744","0.013","91.859","0.012","101.739","0.015","955.7","0.3","175","","175","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.2757","0.0836","","0.1788","0.0897","0.0897","","","","","","1.0036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054922","9.6623","0.0003","13.1399","0.0004","13.4402","0.0004","96.42","0.003","103.728","0.003","92.257","0.003","1643.4","0.09","175","","175","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","2","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.0928","0.0678","","0.0752","0.0662","0.0662","","","","","","1.0757","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054923","5.0416","0.00018","13.6467","0.0005","31.0182","0.0011","90","","94.55","0.003","90","","2127.36","0.13","175","","175","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N O6 -","- C25 H27 N O6 -","- C100 H108 N4 O24 -","4","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.0691","0.052","","0.062","0.0549","0.0549","","","","","","1.1293","","","","has coordinates,has disorder","204135","2020-10-21","18:00:00",""
"7054924","46.312","0.003","46.312","0.003","5.6266","0.0005","90","","90","","120","","10451.1","1.3","175","","175","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C29.166 H31.25 N1.08 -","- C29.1667 H31 N1.08333 -","- C525 H558 N19.5 -","18","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.2244","0.0713","","0.0893","0.0424","0.0424","","","","","","1.1478","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054925","8.2148","0.0003","9.5771","0.0003","12.8008","0.0005","73.643","0.003","73.317","0.003","89.653","0.003","922.58","0.06","175","","175","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H23 N -","- C25 H23 N -","- C50 H46 N2 -","2","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.0941","0.063","","0.0737","0.0682","0.0682","","","","","","1.0521","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054926","19.8394","0.0007","8.7672","0.0003","13.8699","0.0006","90","","101.793","0.003","90","","2361.55","0.16","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 N O5 -","- C29 H29 N O5 -","- C116 H116 N4 O20 -","4","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.1132","0.0714","","0.077","0.06","0.06","","","","","","1.1188","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054927","7.66","0.0006","8.1559","0.0006","20.1223","0.0013","91.773","0.005","94.378","0.006","112.4","0.007","1156.42","0.16","2175","","175","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H31 N -","- C31 H31 N -","- C62 H62 N2 -","2","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","0.71073","MoKα","","0.0974","0.0617","","0.0817","0.063","0.063","","","","","","1.1063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054928","20.21","0.004","4.7596","0.0011","20.15","0.003","90","","90.938","0.014","90","","1938","0.7","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N -","- C27 H23 N -","- C108 H92 N4 -","4","1","","Marin, Luminita; van der Lee, Arie; Shova, Sergiu; Arvinte, Adina; Barboiu, Mihail","Molecular amorphous glasses toward large azomethine crystals with aggregation-induced emission","New J. Chem.","2015","39","8","6404","","10.1039/C5NJ01052G","","","1.54184","CuKα","","0.1535","0.0918","","0.1505","0.0952","0.0952","","","","","","1.0365","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054929","8.4814","0.0003","11.4048","0.0004","11.4291","0.0004","96.622","0.003","99.334","0.003","104.274","0.003","1043.17","0.07","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl Ir N2 O -","- C22 H26 Cl Ir N2 O -","- C44 H52 Cl2 Ir2 N4 O2 -","2","1","","Iglesias, Diego; Sabater, Sara; Azua, Arturo; Mata, Jose A.","Catalytic applications of magnetic nanoparticles functionalized using iridium N-heterocyclic carbene complexes","New J. Chem.","2015","39","8","6437","","10.1039/C5NJ00803D","","","1.5418","CuKα","","0.0289","0.0259","","","0.0634","0.0651","","","","","","1.057","","","","has coordinates","153245","2020-10-21","18:00:00",""
"7054930","7.315","0.004","7.088","0.004","20.776","0.013","90","","90.069","0.018","90","","1077.2","1.1","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N4 O6 S2 -","- C20 H22 N4 O6 S2 -","- C40 H44 N8 O12 S4 -","2","0.5","","Calahorro, Antonio J.; Fernández, Belén; García-Gallarín, Celeste; Melguizo, Manuel; Fairen-Jimenez, David; Zaragoza, Guillermo; Salinas-Castillo, Alfonso; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio","Towards a potential 4,4′-(1,2,4,5-tetrazine-3,6-diyl) dibenzoic spacer to construct metal‒organic frameworks","New J. Chem.","2015","39","8","6453","","10.1039/C5NJ00524H","","x-ray","0.7107","MoKα","","0.0866","0.0602","","","0.1379","0.1532","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054931","5.97","0.001","6.738","0.0012","34.5","0.006","90","","94.68","0.005","90","","1383.2","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H9 K N4 O4 -","- C16 H9 K N4 O4 -","- C64 H36 K4 N16 O16 -","4","0.5","","Calahorro, Antonio J.; Fernández, Belén; García-Gallarín, Celeste; Melguizo, Manuel; Fairen-Jimenez, David; Zaragoza, Guillermo; Salinas-Castillo, Alfonso; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio","Towards a potential 4,4′-(1,2,4,5-tetrazine-3,6-diyl) dibenzoic spacer to construct metal‒organic frameworks","New J. Chem.","2015","39","8","6453","","10.1039/C5NJ00524H","","x-ray","1.54178","CuKα","","0.0474","0.0413","","","0.0972","0.1006","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054932","10.225","0.005","13.53","0.006","15.503","0.008","90","","102.795","0.009","90","","2091.5","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Co N5 O4 -","- C22 H19 Co N5 O4 -","- C88 H76 Co4 N20 O16 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.0853","0.054","","","0.1043","0.1205","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054933","6.63","0.004","10.167","0.005","12.475","0.007","109.11","0.03","103.7","0.02","100.43","0.03","740.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Co N3 O5 -","- C15 H14 Co N3 O5 -","- C30 H28 Co2 N6 O10 -","2","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.0487","0.0372","","","0.082","0.0878","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054934","11.695","0.003","12.743","0.003","13.731","0.003","79.51","0.004","82.465","0.006","84.529","0.005","1989.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Mn2 N10 O8 -","- C44 H38 Mn2 N10 O8 -","- C88 H76 Mn4 N20 O16 -","2","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.0606","0.0522","","","0.1838","0.1925","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054935","9.888","0.006","19.869","0.012","15.089","0.01","90","","101.072","0.012","90","","2909","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 Mn N6 O7 -","- C27 H34 Mn N6 O7 -","- C108 H136 Mn4 N24 O28 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.1126","0.0691","","","0.1546","0.1784","","","","","","1.179","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054936","12.8113","0.001","7.8747","0.0006","15.8919","0.0017","90","","90.871","0.008","90","","1603.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Co N3 O5 -","- C16 H16 Co N3 O5 -","- C64 H64 Co4 N12 O20 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.0362","0.0322","","","0.0845","0.088","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054937","10.464","0.0019","11.5072","0.0012","16.689","0.002","90","","102.865","0.008","90","","1959.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Mn N4 O4 -","- C21 H17 Mn N4 O4 -","- C84 H68 Mn4 N16 O16 -","4","1","","Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Xu, Xiahong","Syntheses and characterizations of six Co(ii) and Mn(ii) coordination polymers based on amino-substituted 5-aminoisophthalate and flexible bis(imidazolyl) ligands","New J. Chem.","2015","39","9","6844","","10.1039/C5NJ00706B","","","0.71073","MoKα","","0.0472","0.0393","","","0.0924","0.0973","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054947","13.7002","0.0006","13.9301","0.0008","15.2548","0.0005","108.998","0.004","106.363","0.004","97.835","0.004","2556.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 N6 O9 Si4 Sm2 -","- C88 H148 N6 O9 Si4 Sm2 -","- C88 H148 N6 O9 Si4 Sm2 -","1","0.5","","Cheng, Hao; Xiao, Yang; Lu, Chengrong; Zhao, Bei; Wang, Yaorong; Yao, Yingming","Synthesis and characterization of bis(amidate) rare-earth metal amides and their application in catalytic addition of amines to carbodiimides","New J. Chem.","2015","39","10","7667","","10.1039/C5NJ00506J","","","0.71073","MoKα","","0.0432","0.0349","","","0.0979","0.1012","","","","","","1.128","","","","has coordinates,has disorder","162123","2020-10-21","18:00:00",""
"7054948","13.7","0.016","14","0.03","15.31","0.02","109.37","0.04","105.895","0.008","98.64","0.02","2569","7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 N6 O9 Si4 Yb2 -","- C88 H148 N6 O9 Si4 Yb2 -","- C88 H148 N6 O9 Si4 Yb2 -","1","0.5","","Cheng, Hao; Xiao, Yang; Lu, Chengrong; Zhao, Bei; Wang, Yaorong; Yao, Yingming","Synthesis and characterization of bis(amidate) rare-earth metal amides and their application in catalytic addition of amines to carbodiimides","New J. Chem.","2015","39","10","7667","","10.1039/C5NJ00506J","","","0.71075","MoKα","","0.0601","0.0492","","","0.1178","0.1272","","","","","","1.085","","","","has coordinates,has disorder","162123","2020-10-21","18:00:00",""
"7054949","6.9927","0.0004","8.0857","0.0005","14.201","0.0009","101.016","0.001","95.091","0.001","101.324","0.001","766.12","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H15 Ca N O9 P2 -","- C10 H15 Ca N O9 P2 -","- C20 H30 Ca2 N2 O18 P4 -","2","1","","Luo, Hui; Ma, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Sun, Tong; Ma, Ming-Xue; Zhu, Yan-Yu; Li, Wen-Zhu; Wang, Mei-Ling; Zhang, Xiao-Wen","Synthesis, structures, luminescent and molecular recognition properties of three new alkaline earth metal carboxyphosphonates with a 3D supramolecular structure","New J. Chem.","2015","39","8","6611","","10.1039/C5NJ00656B","","","0.71073","MoKα","","0.0378","0.0325","","","0.0847","0.0889","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054950","6.0359","0.0006","8.0803","0.0008","16.5511","0.0015","93.878","0.002","95.273","0.001","102.285","0.002","782.25","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H17 N O10 P2 Sr -","- C10 H17 N O10 P2 Sr -","- C20 H34 N2 O20 P4 Sr2 -","2","1","","Luo, Hui; Ma, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Sun, Tong; Ma, Ming-Xue; Zhu, Yan-Yu; Li, Wen-Zhu; Wang, Mei-Ling; Zhang, Xiao-Wen","Synthesis, structures, luminescent and molecular recognition properties of three new alkaline earth metal carboxyphosphonates with a 3D supramolecular structure","New J. Chem.","2015","39","8","6611","","10.1039/C5NJ00656B","","","0.71073","MoKα","","0.0503","0.0379","","","0.0874","0.0929","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054951","5.4566","0.0007","8.6781","0.0012","16.081","0.002","92.8","0.002","92.173","0.002","105.253","0.002","732.76","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H15 Ba N O9 P2 -","- C10 H15 Ba N O9 P2 -","- C20 H30 Ba2 N2 O18 P4 -","2","1","","Luo, Hui; Ma, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Sun, Tong; Ma, Ming-Xue; Zhu, Yan-Yu; Li, Wen-Zhu; Wang, Mei-Ling; Zhang, Xiao-Wen","Synthesis, structures, luminescent and molecular recognition properties of three new alkaline earth metal carboxyphosphonates with a 3D supramolecular structure","New J. Chem.","2015","39","8","6611","","10.1039/C5NJ00656B","","","0.71","MoKα","","0.0595","0.0529","","","0.1508","0.1557","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054952","15.0078","0.0008","15.5458","0.0008","18.4958","0.001","99.5345","0.0015","101.192","0.0016","113.02","0.0014","3754.1","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H108 N12 O6 -","- C74 H107 N12 O6 -","- C148 H214 N24 O12 -","2","1","","Alavijeh, Nahid S.; Zadmard, Reza; Ramezanpour, Sorour; Balalaie, Saeed; Alavijeh, Mohammad S.; Rominger, Frank","Efficient synthesis of lower rim α-hydrazino tetrazolocalix[4]arenes via an Ugi-azide multicomponent reaction","New J. Chem.","2015","39","8","6578","","10.1039/C5NJ00845J","","","0.71073","MoKα","","0.1261","0.0877","","","0.2548","0.2872","","","","","","1.063","","","","has coordinates,has disorder","153252","2020-10-21","18:00:00",""
"7054953","8.3325","0.0002","10.9016","0.0002","12.7875","0.0003","102.314","0.001","94.699","0.001","91.958","0.001","1129.46","0.04","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H33 Br Ni O2 P2 -","- C19 H33 Br Ni O2 P2 -","- C38 H66 Br2 Ni2 O4 P4 -","2","1","","Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.","Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties","New J. Chem.","2015","39","8","6649","","10.1039/C5NJ00807G","","","1.54178","CuKα","","0.034","0.032","","","0.0854","0.0869","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054954","8.4032","0.0003","16.9796","0.0007","21.371","0.0008","90","","105.376","0.002","90","","2940.1","0.2","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Ni O5 P2 S -","- C26 H40 Ni O5 P2 S -","- C104 H160 Ni4 O20 P8 S4 -","4","1","","Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.","Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties","New J. Chem.","2015","39","8","6649","","10.1039/C5NJ00807G","","","1.54178","CuKα","","0.0318","0.03","","","0.0835","0.0846","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054955","8.0422","0.0008","16.7136","0.0017","17.4731","0.0017","90.793","0.004","90.658","0.003","97.963","0.004","2325.5","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Ni O2 P2 -","- C22 H36 Ni O2 P2 -","- C88 H144 Ni4 O8 P8 -","4","2","","Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.","Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties","New J. Chem.","2015","39","8","6649","","10.1039/C5NJ00807G","","x-ray","1.54178","CuKα","","0.0552","0.0543","","","0.144","0.145","","","","","","1.057","","","","has coordinates","153244","2020-10-21","18:00:00",""
"7054956","19.7665","0.0004","17.7155","0.0004","23.8071","0.0006","90","","90","","90","","8336.6","0.3","150","2","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H56 B N Ni O2 P2 -","- C45 H56 B N Ni O2 P2 -","- C360 H448 B8 N8 Ni8 O16 P16 -","8","1","","Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.","Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties","New J. Chem.","2015","39","8","6649","","10.1039/C5NJ00807G","","","1.54178","CuKα","","0.038","0.0371","","","0.0979","0.0985","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054957","8.3833","0.0002","10.8596","0.0002","12.7379","0.0003","102.681","0.001","94.204","0.001","92.443","0.001","1126.26","0.04","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 Ni O2 P2 -","- C20 H36 Ni O2 P2 -","- C40 H72 Ni2 O4 P4 -","2","1","","Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.","Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties","New J. Chem.","2015","39","8","6649","","10.1039/C5NJ00807G","","","1.54178","CuKα","","0.0412","0.0407","","","0.1124","0.113","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054958","37.191","0.005","10.591","0.004","25.678","0.003","90","","133.522","0.012","90","","7334","3","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H48 N7 S Sc Si4 -","- C26.002 H48.0057 N7 S Sc Si4.001 -","- C208.016 H384.046 N56 S8 Sc8 Si32.008 -","8","1","","Otero, Antonio; Lara-Sánchez, Agustín; Castro-Osma, José A.; Márquez-Segovia, Isabel; Alonso-Moreno, Carlos; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez, Ana M.","Synthesis and structural characterization of amido heteroscorpionate rare-earth metal complexes and hydroamination of aminoalkenes","New J. Chem.","2015","39","10","7672","","10.1039/C5NJ00930H","","","0.71073","MoKα","","0.2141","0.0621","","","0.1071","0.1492","","","","","","0.871","","","","has coordinates,has disorder","162042","2020-10-21","18:00:00",""
"7054959","7.4044","0.0004","13.0468","0.0006","21.5066","0.0011","90","","90","","90","","2077.62","0.18","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methylgallium betadiketonate","","- C23 H25 Ga N2 O2 -","- C23 H25 Ga N2 O2 -","- C92 H100 Ga4 N8 O8 -","4","1","","Knapp, Caroline E.; Marchand, Peter; Dyer, Caragh; Parkin, Ivan P.; Carmalt, Claire J.","Synthesis and characterisation of novel aluminium and gallium precursors for chemical vapour deposition","New J. Chem.","2015","39","8","6585","","10.1039/C5NJ00947B","","","0.71073","MoKα","","0.0364","0.0327","","","0.0695","0.0713","","","","","","1.012","","","","has coordinates","153255","2020-10-21","18:00:00",""
"7054960","11.3771","0.0003","11.4009","0.0003","14.2678","0.0004","90","","95.242","0.003","90","","1842.92","0.09","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","chloro gallium bis(2-N-isopropylaminopentan-4-one)","","- C16 H28 Cl Ga N2 O2 -","- C16 H28 Cl Ga N2 O2 -","- C64 H112 Cl4 Ga4 N8 O8 -","4","0.5","","Knapp, Caroline E.; Marchand, Peter; Dyer, Caragh; Parkin, Ivan P.; Carmalt, Claire J.","Synthesis and characterisation of novel aluminium and gallium precursors for chemical vapour deposition","New J. Chem.","2015","39","8","6585","","10.1039/C5NJ00947B","","","0.71073","MoKα","","0.0346","0.0298","","","0.0703","0.0734","","","","","","1.065","","","","has coordinates","153255","2020-10-21","18:00:00",""
"7054961","14.0647","0.0004","14.4468","0.0004","15.8435","0.0005","90","","90","","90","","3219.24","0.16","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Aluminium isopropoxide betadiketonate","","- C15 H25 Al N2 O3 -","- C15 H25 Al N2 O3 -","- C120 H200 Al8 N16 O24 -","8","1","","Knapp, Caroline E.; Marchand, Peter; Dyer, Caragh; Parkin, Ivan P.; Carmalt, Claire J.","Synthesis and characterisation of novel aluminium and gallium precursors for chemical vapour deposition","New J. Chem.","2015","39","8","6585","","10.1039/C5NJ00947B","","","1.54184","CuKα","","0.0568","0.0391","","","0.0902","0.0988","","","","","","1.017","","","","has coordinates","153255","2020-10-21","18:00:00",""
"7054962","10.304","0.002","12.582","0.003","17.04","0.003","90","","98.6","0.03","90","","2184.3","0.8","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 O9 S2 Zn2 -","- C32 H22 N4 O9 S2 Zn2 -","- C64 H44 N8 O18 S4 Zn4 -","2","0.5","","Yin, Wen-Yu; Huang, Zuo-Long; Tang, Xiao-Yan; Wang, Jun; Cheng, Hong-Jian; Ma, Yun-Sheng; Yuan, Rong-Xin; Liu, Dong","Structural diversification and photocatalytic properties of zinc(ii) polymers modified by auxiliary N-containing ligands","New J. Chem.","2015","39","9","7130","","10.1039/C5NJ01005E","","","0.71073","MoKα","","0.0571","0.0482","","","0.1533","0.1602","","","","","","1.085","","","","has coordinates,has disorder","155210","2020-10-21","18:00:00",""
"7054963","13.7313","0.0019","10.4349","0.0014","18.476","0.0019","90","","130.704","0.007","90","","2006.9","0.5","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C42 H30 N6 O9 S2 Zn2 -","- C42 H30 N6 O9 S2 Zn2 -","- C84 H60 N12 O18 S4 Zn4 -","2","0.5","","Yin, Wen-Yu; Huang, Zuo-Long; Tang, Xiao-Yan; Wang, Jun; Cheng, Hong-Jian; Ma, Yun-Sheng; Yuan, Rong-Xin; Liu, Dong","Structural diversification and photocatalytic properties of zinc(ii) polymers modified by auxiliary N-containing ligands","New J. Chem.","2015","39","9","7130","","10.1039/C5NJ01005E","","","0.71073","MoKα","","0.0799","0.0702","","","0.1795","0.1874","","","","","","1.166","","","","has coordinates,has disorder","155210","2020-10-21","18:00:00",""
"7054964","20.434","0.004","9.921","0.002","14.065","0.003","90","","133.25","0.03","90","","2076.8","1.3","291","2","291","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H14 N3 O4 S Zn -","- C22 H14 N3 O4 S Zn -","- C88 H56 N12 O16 S4 Zn4 -","4","1","","Yin, Wen-Yu; Huang, Zuo-Long; Tang, Xiao-Yan; Wang, Jun; Cheng, Hong-Jian; Ma, Yun-Sheng; Yuan, Rong-Xin; Liu, Dong","Structural diversification and photocatalytic properties of zinc(ii) polymers modified by auxiliary N-containing ligands","New J. Chem.","2015","39","9","7130","","10.1039/C5NJ01005E","","","0.71073","MoKα","","0.0691","0.0561","","","0.1207","0.1263","","","","","","1.096","","","","has coordinates","155210","2020-10-21","18:00:00",""
"7054965","10.3556","0.0008","10.9941","0.0008","22.5493","0.0017","96.459","0.002","90.358","0.002","98.278","0.002","2523.7","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H45 N9 O11 S2 Zn2 -","- C53 H45 N9 O11 S2 Zn2 -","- C106 H90 N18 O22 S4 Zn4 -","2","1","","Yin, Wen-Yu; Huang, Zuo-Long; Tang, Xiao-Yan; Wang, Jun; Cheng, Hong-Jian; Ma, Yun-Sheng; Yuan, Rong-Xin; Liu, Dong","Structural diversification and photocatalytic properties of zinc(ii) polymers modified by auxiliary N-containing ligands","New J. Chem.","2015","39","9","7130","","10.1039/C5NJ01005E","","","0.71073","MoKα","","0.0525","0.0422","","","0.137","0.1769","","","","","","1.093","","","","has coordinates","155210","2020-10-21","18:00:00",""
"7054966","10.95","0.002","6.8081","0.0014","11.381","0.002","90","","95.76","0.03","90","","844.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Gd O8 -","- C4 H9 Gd O8 -","- C16 H36 Gd4 O32 -","4","1","","Liu, Sui-Jun; Zheng, Teng-Fei; Bao, Jun; Dong, Piao-Ping; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui; Xu, Jian; Bu, Xian-He","Two GdIIIcomplexes derived from dicarboxylate ligands as cryogenic magnetorefrigerants","New J. Chem.","2015","39","9","6970","","10.1039/C5NJ01229E","","","0.71073","MoKα","","0.0619","0.0561","","","0.1296","0.1329","","","","","","1.172","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054967","9.6867","0.0019","15.449","0.003","27.303","0.006","90","","90","","90","","4085.9","1.4","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C5 H10 Gd O10 -","- C5 H10 Gd O10 -","- C80 H160 Gd16 O160 -","16","0.5","","Liu, Sui-Jun; Zheng, Teng-Fei; Bao, Jun; Dong, Piao-Ping; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui; Xu, Jian; Bu, Xian-He","Two GdIIIcomplexes derived from dicarboxylate ligands as cryogenic magnetorefrigerants","New J. Chem.","2015","39","9","6970","","10.1039/C5NJ01229E","","","0.71073","MoKα","","0.0285","0.0244","","","0.0432","0.0444","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054968","11.357","0.0007","11.8214","0.0007","19.0167","0.0012","90","","106.551","0.001","90","","2447.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H78 N4 O2 Sc2 Si4 -","- C36 H78 N4 O2 Sc2 Si4 -","- C72 H156 N8 O4 Sc4 Si8 -","2","0.5","","Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei","Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization","New J. Chem.","2015","39","10","7682","","10.1039/C5NJ00737B","","","0.71073","MoKα","","0.0414","0.0361","","","0.0954","0.0997","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054969","25.04","0.003","10.6891","0.001","20.951","0.002","90","","103.216","0.002","90","","5459.1","1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H86 N4 O2 Si4 Y2 -","- C40 H86 N4 O2 Si4 Y2 -","- C160 H344 N16 O8 Si16 Y8 -","4","1","","Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei","Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization","New J. Chem.","2015","39","10","7682","","10.1039/C5NJ00737B","","","0.71073","MoKα","","0.0946","0.0552","","","0.0926","0.1045","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054970","11.5419","0.0007","17.7218","0.001","14.0192","0.0008","90","","106.313","0.001","90","","2752.1","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H86 Lu2 N4 O2 Si4 -","- C40 H86 Lu2 N4 O2 Si4 -","- C80 H172 Lu4 N8 O4 Si8 -","2","0.5","","Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei","Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization","New J. Chem.","2015","39","10","7682","","10.1039/C5NJ00737B","","","0.71073","MoKα","","0.0622","0.0592","","","0.1322","0.1331","","","","","","1.351","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7054971","11.5311","0.0007","11.8604","0.0007","19.0343","0.0012","90","","106.182","0.001","90","","2500.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H78 Lu2 N4 O2 Si4 -","- C36 H78 Lu2 N4 O2 Si4 -","- C72 H156 Lu4 N8 O4 Si8 -","2","0.5","","Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei","Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization","New J. Chem.","2015","39","10","7682","","10.1039/C5NJ00737B","","","0.71073","MoKα","","0.018","0.0167","","","0.043","0.0438","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054972","13.3583","0.0013","14.9883","0.0015","14.5687","0.0015","90","","91.521","0.002","90","","2915.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H90 N4 O2 Si4 Y2 -","- C48 H90 N4 O2 Si4 Y2 -","- C96 H180 N8 O4 Si8 Y4 -","2","0.5","","Long, Shiyu; Wang, Baoli; Xie, Hongyan; Yao, Changguang; Wu, Chunji; Cui, Dongmei","Rare-earth metal alkyl complexes bearing an alkoxy N-heterocyclic carbene ligand: synthesis, characterization, catalysis for isoprene polymerization","New J. Chem.","2015","39","10","7682","","10.1039/C5NJ00737B","","","0.71073","MoKα","","0.1091","0.0553","","","0.0908","0.1068","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054973","37.484","0.0011","7.0935","0.0002","6.2089","0.0002","90","","97.497","0.002","90","","1636.79","0.09","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H13 Br N3 O -","- C19 H13 Br N3 O -","- C76 H52 Br4 N12 O4 -","4","1","","İkiz, Mesut; İspir, Esin; Aytar, Emine; Ulusoy, Mahmut; Karabuğa, Şemistan; Aslantaş, Mehmet; Çelik, Ömer","Chemical fixation of CO2into cyclic carbonates by azo-containing Schiff base metal complexes","New J. Chem.","2015","39","10","7786","","10.1039/C5NJ00571J","","","0.71073","MoKα","","0.0334","0.0289","","","0.0626","0.0643","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054974","34.9897","0.0007","8.3586","0.0002","11.8489","0.0003","90","","105.303","0.001","90","","3342.52","0.14","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Br2 N6 O2 Zn -","- C38 H26 Br2 N6 O2 Zn -","- C152 H104 Br8 N24 O8 Zn4 -","4","0.5","","İkiz, Mesut; İspir, Esin; Aytar, Emine; Ulusoy, Mahmut; Karabuğa, Şemistan; Aslantaş, Mehmet; Çelik, Ömer","Chemical fixation of CO2into cyclic carbonates by azo-containing Schiff base metal complexes","New J. Chem.","2015","39","10","7786","","10.1039/C5NJ00571J","","","0.71073","MoKα","","0.0728","0.038","","","0.0825","0.0938","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054975","11.7172","0.0003","11.9846","0.0003","20.1196","0.0006","89.976","0.001","81.043","0.001","79.874","0.001","2746.33","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H51 Ag2 N15 O16 -","- C54 H51 Ag2 N15 O16 -","- C108 H102 Ag4 N30 O32 -","2","1","","Wu, Huilu; Zhang, Jiawen; Chen, Chengyong; Zhang, Han; Peng, Hongping; Wang, Fei; Yang, Zaihui","Synthesis, crystal structure, and DNA-binding studies of different coordinate binuclear silver(i) complexes with benzimidazole open-chain ether ligands","New J. Chem.","2015","39","9","7172","","10.1039/C5NJ01684C","","","0.71073","MoKα","","0.0534","0.039","","","0.112","0.1248","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054976","7.0952","0.0001","12.8978","0.0003","15.0574","0.0004","110.583","0.001","102.763","0.001","97.589","0.001","1224.46","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Ag2 N14 O18 -","- C48 H44 Ag2 N14 O18 -","- C48 H44 Ag2 N14 O18 -","1","0.5","","Wu, Huilu; Zhang, Jiawen; Chen, Chengyong; Zhang, Han; Peng, Hongping; Wang, Fei; Yang, Zaihui","Synthesis, crystal structure, and DNA-binding studies of different coordinate binuclear silver(i) complexes with benzimidazole open-chain ether ligands","New J. Chem.","2015","39","9","7172","","10.1039/C5NJ01684C","","","0.71073","MoKα","","0.0245","0.0223","","","0.0731","0.0781","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054977","13.373","0.0003","14.8244","0.0004","17.3282","0.0004","86.867","0.001","89.715","0.001","87.875","0.001","3427.75","0.14","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H56 Ag2 N14 O16 -","- C72 H56 Ag2 N14 O16 -","- C144 H112 Ag4 N28 O32 -","2","1","","Wu, Huilu; Zhang, Jiawen; Chen, Chengyong; Zhang, Han; Peng, Hongping; Wang, Fei; Yang, Zaihui","Synthesis, crystal structure, and DNA-binding studies of different coordinate binuclear silver(i) complexes with benzimidazole open-chain ether ligands","New J. Chem.","2015","39","9","7172","","10.1039/C5NJ01684C","","","0.71073","MoKα","","0.0877","0.0487","","","0.1228","0.19","","","","","","1.179","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054978","11.727","0.003","24.744","0.006","9.764","0.003","90","","98.883","0.005","90","","2799.3","1.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl Co N10 O11.5 -","- C20 H27 Cl Co N10 O11.5 -","- C80 H108 Cl4 Co4 N40 O46 -","4","1","","Safin, Damir A.; Szell, Patrick M. J.; Keller, Antonin; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Interaction of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) with CoX2(X = Cl, Br) in water: trapping of new self-assembled water‒chloride/bromide clusters in a [Co(bpca)2]+host (bpca = bis(2-pyrimidylcarbonyl)amidate anion)","New J. Chem.","2015","39","9","7147","","10.1039/C5NJ01125F","","","0.71073","MoKα","","0.1222","0.0609","","","0.1231","0.1468","","","","","","1.015","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7054979","11.7712","0.0005","24.6598","0.0011","9.8817","0.0005","90","","99.559","0.002","90","","2828.6","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Br Co N10 O11.5 -","- C20 H27 Br Co N10 O11.5 -","- C80 H108 Br4 Co4 N40 O46 -","4","1","","Safin, Damir A.; Szell, Patrick M. J.; Keller, Antonin; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Interaction of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) with CoX2(X = Cl, Br) in water: trapping of new self-assembled water‒chloride/bromide clusters in a [Co(bpca)2]+host (bpca = bis(2-pyrimidylcarbonyl)amidate anion)","New J. Chem.","2015","39","9","7147","","10.1039/C5NJ01125F","","","0.71073","MoKα","","0.0761","0.0559","","","0.1277","0.137","","","","","","1.064","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7054980","14.3506","0.0015","11.464","0.0005","13.8015","0.0012","90","","118.252","0.012","90","","2000.1","0.4","291.89","0.1","291.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O6 S -","- C19 H18 N4 O6 S -","- C76 H72 N16 O24 S4 -","4","1","","Zhu, Xin; Lin, Qi; Lou, Jin-Chao; Lu, Tao-Tao; Zhang, You-Ming; Wei, Tai-Bao","Colorimetric probes designed to provide high sensitivity and single selectivity for CN−in aqueous solution","New J. Chem.","2015","39","9","7206","","10.1039/C5NJ01158B","","","0.71073","MoKα","","0.0978","0.0581","","","0.1227","0.1527","","","","","","1.032","","","","has coordinates","155219","2020-10-21","18:00:00",""
"7054984","8.798","0.007","14.565","0.011","15.456","0.012","78.075","0.016","74.593","0.015","79.602","0.016","1852","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 Cl4 Cu N14 O14.5 -","- C56 H64 Cl4 Cu N14 O14 -","- C56 H64 Cl4 Cu N14 O14 -","1","0.5","","Li, Jie; Xi, Teng; Yan, Biao; Yang, Mingyan; Song, Jirong; Ma, Haixia","Two Cu(ii) complexes of triadimefon: crystal structure, antifungal activities and structure‒activity relationship","New J. Chem.","2015","39","9","6997","","10.1039/C5NJ00679A","","","0.71073","MoKα","","0.234","0.0845","","","0.1389","0.1601","","","","","","1.008","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7054985","9.0593","0.0012","12.8399","0.0017","16.926","0.002","87.738","0.002","74.848","0.002","70.694","0.002","1791.1","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 Cl4 Cu N6 O5 -","- C30 H38 Cl4 Cu N6 O5 -","- C60 H76 Cl8 Cu2 N12 O10 -","2","1","","Li, Jie; Xi, Teng; Yan, Biao; Yang, Mingyan; Song, Jirong; Ma, Haixia","Two Cu(ii) complexes of triadimefon: crystal structure, antifungal activities and structure‒activity relationship","New J. Chem.","2015","39","9","6997","","10.1039/C5NJ00679A","","","0.71073","MoKα","","0.0583","0.0538","","","0.151","0.1548","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054986","7.7181","0.0013","8.3117","0.0014","14.132","0.002","99.319","0.003","103.875","0.002","106.46","0.003","817.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6,8-dichloro-2-hydroxy-2-(pyridin-4-yl)-2H-chromene-3-carboxylate","","- C17 H13 Cl2 N O4 -","- C17 H13 Cl2 N O4 -","- C34 H26 Cl4 N2 O8 -","2","1","","Chandrasekhara Rao, Lenka; Satish Kumar, Nandigama; Jagadeesh Babu, Nanubolu; Mitaram Meshram, Harshadas","A simple and efficient one-pot synthesis of 2-alkyl/aryl/pyridyl substituted 2H-chromenes","New J. Chem.","2015","39","9","7164","","10.1039/C5NJ01377A","","","0.71073","MoKα","","0.0649","0.0554","","","0.1352","0.1415","","","","","","1.121","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054987","7.3802","0.0011","8.307","0.0014","14.538","0.002","93.277","0.011","99.516","0.013","96.9","0.011","870","0.2","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C13 H21 F6 N4 O P -","- C13 H21 F6 N4 O P -","- C26 H42 F12 N8 O2 P2 -","2","1","","Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L.","Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization","New J. Chem.","2015","39","9","7234","","10.1039/C5NJ01538C","","x-ray","0.71073","MoKα","","0.0496","0.0348","","","0.0918","0.0978","","","","","","1.046","","","","has coordinates","155217","2020-10-21","18:00:00",""
"7054988","9.8869","0.0004","8.5977","0.0003","21.7613","0.0009","90","","94.16","0.002","90","","1844.94","0.12","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 F6 N4 O P -","- C14 H23 F6 N4 O P -","- C56 H92 F24 N16 O4 P4 -","4","1","","Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L.","Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization","New J. Chem.","2015","39","9","7234","","10.1039/C5NJ01538C","","x-ray","0.71073","MoKα","","0.0492","0.0409","","","0.0913","0.097","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054989","8.1781","0.0002","15.6069","0.0003","28.0616","0.0006","90","","90","","90","","3581.64","0.14","150","2","150","2","","","","","","","synthesis as described","6","P c 21 b","P -2bc -2c","29","","","","- C13 H21 Cl3 N4 Ni O -","- C13 H21 Cl3 N4 Ni O -","- C104 H168 Cl24 N32 Ni8 O8 -","8","2","","Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L.","Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization","New J. Chem.","2015","39","9","7234","","10.1039/C5NJ01538C","","x-ray","0.71073","MoKα","","0.0208","0.0192","","","0.0462","0.0467","","","","","","1.034","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7054990","13.383","0.0006","7.7341","0.0003","17.1341","0.0007","90","","104.377","0.002","90","","1717.93","0.12","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Cl3 N4 Ni O -","- C12 H19 Cl3 N4 Ni O -","- C48 H76 Cl12 N16 Ni4 O4 -","4","1","","Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L.","Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization","New J. Chem.","2015","39","9","7234","","10.1039/C5NJ01538C","","x-ray","0.71073","MoKα","","0.0388","0.0298","","","0.0703","0.0748","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054991","8.085","0.0001","17.5163","0.0003","13.4475","0.0002","90","","99.51","0.001","90","","1878.25","0.05","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 Cl3 N4 Ni O -","- C14 H23 Cl3 N4 Ni O -","- C56 H92 Cl12 N16 Ni4 O4 -","4","1","","Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L.","Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization","New J. Chem.","2015","39","9","7234","","10.1039/C5NJ01538C","","x-ray","0.71073","MoKα","","0.0301","0.0258","","","0.061","0.0638","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054992","10.6396","0.0006","10.6396","0.0006","13.8377","0.0008","90","","90","","90","","1566.44","0.15","284","2","284","2","","","","","","","","3","I 41","I 4bw","80","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","0.5","","Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Huang, Po-Jui; Hou, Ruei-Jhih; Wang, Jeh-Jeng","A sequential one-pot approach to 1,2,4,5-tetrasubstituted-2H-imidazole synthesis from disubstituted alkynes","New J. Chem.","2015","39","9","6914","","10.1039/C5NJ00959F","","x-ray","0.71073","MoKα","","0.0763","0.0689","","","0.2026","0.2158","","","","","","1.066","","","","has coordinates","155223","2020-10-21","18:00:00",""
"7054993","13.309","0.0005","9.40511","0.00019","13.7393","0.0004","90","","114.964","0.004","90","","1559.11","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dioxido-aqua-(2-oxobenzaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI)) chloride","","- C13 H12 Cl Mo N3 O5 -","- C13 H12 Cl Mo N3 O5 -","- C52 H48 Cl4 Mo4 N12 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0516","0.0337","","","0.0673","0.073","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054994","7.48269","0.00013","25.6417","0.0005","8.45241","0.00014","90","","94.5659","0.0015","90","","1616.61","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-dioxido-methanol-(2-oxobenzaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI)) chloride","","- C14 H14 Cl Mo N3 O5 -","- C14 H14 Cl Mo N3 O5 -","- C56 H56 Cl4 Mo4 N12 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0283","0.0255","","","0.0623","0.0635","","","","","","1.17","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054995","8.08986","0.00018","17.0004","0.0003","13.1601","0.0003","90","","105.619","0.002","90","","1743.09","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-dioxido-aqua-(2-oxo-1-naphthaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI) chloride","","- C17 H14 Cl Mo N3 O5 -","- C17 H14 Cl Mo N3 O5 -","- C68 H56 Cl4 Mo4 N12 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0493","0.0357","","","0.0737","0.078","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054996","7.5013","0.0005","9.4538","0.0009","13.3244","0.0007","96.89","0.006","90.248","0.005","97.558","0.007","929.74","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","cis-dioxido-methanol-(2-oxo-1-naphthaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI) chloride","","- C18 H16 Cl Mo N3 O5 -","- C18 H16 Cl Mo N3 O5 -","- C36 H32 Cl2 Mo2 N6 O10 -","2","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0525","0.0336","","","0.086","0.0921","","","","","","1.049","","","","has coordinates","155212","2020-10-21","18:00:00",""
"7054997","15.958","0.0004","11.4043","0.0002","12.2325","0.0003","90","","109.225","0.003","90","","2102.04","0.09","295","","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dioxido-aqua-(diethylamino-salicylaldehyde4-phenylthiosemicarbazonato)molybdenum(VI)chloride hydrate","","- C17 H23 Cl Mo N4 O6 -","- C17 H23 Cl Mo N4 O6 -","- C68 H92 Cl4 Mo4 N16 O24 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0297","0.0248","","","0.0675","0.0709","","","","","","0.948","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054998","9.2614","0.0004","9.9979","0.0006","11.8619","0.0005","82.827","0.004","72.104","0.004","89.482","0.004","1036.52","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","cis-dioxido-(diethylamino-salicylaldehyde isonicotinylhydrazonato-O,N,O)methanol molybdenum(VI) chloride","","- C18 H23 Cl Mo N4 O5 -","- C18 H23.034 Cl Mo N4 O5 -","- C36 H46.068 Cl2 Mo2 N8 O10 -","2","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0577","0.0435","","","0.105","0.1101","","","","","","0.932","","","","has coordinates,has disorder","155212","2020-10-21","18:00:00",""
"7054999","25.2633","0.0003","25.2633","0.0003","11.2412","0.0002","90","","90","","90","","7174.52","0.18","295","2","295","2","","","","","","","","5","I 41/a","-I 4ad","88","","cis-dioxido-methanol-(2-oxo-1-naphthaldehyde isonicotinylhydrazonato-O,N,O)molybdenum(VI)","","- C18 H15 Mo N3 O5 -","- C18 H15 Mo N3 O5 -","- C288 H240 Mo16 N48 O80 -","16","","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.047","0.0343","","","0.0632","0.0668","","","","","","1.092","","","","has coordinates","155212","2020-10-21","18:00:00",""
"7055000","6.59351","0.00014","13.0715","0.0003","20.2077","0.0004","90","","96.718","0.002","90","","1729.68","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-dioxido-(diethylamino-salicylaldehyde isonicotinylhydrazonato-O,O,N,N)molybdenum(VI)","","- C17 H18 Mo N4 O4 -","- C17 H18 Mo N4 O4 -","- C68 H72 Mo4 N16 O16 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina","Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation","New J. Chem.","2015","39","9","7322","","10.1039/C5NJ01567G","","","0.71073","MoKα","","0.0452","0.0321","","","0.0806","0.0851","","","","","","0.943","","","","has coordinates","155212","2020-10-21","18:00:00",""
"7055001","11.4963","0.0012","16.0196","0.0017","20.763","0.002","78.971","0.004","85.227","0.005","81.247","0.004","3703.7","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H58.5 Cl10.5 N12 O4.5 -","- C68.9995 H58.4995 Cl10.4985 N12 O4.5 -","- C137.999 H116.999 Cl20.997 N24 O9 -","2","1","","Zaiter, Jamila; Achibat, Hanane; Amiri, Ouafa; Hafid, Abderrafia; Khouili, Mostafa; Rakib, El Mostapha; Neves, Cláudia M. B.; Neves, Maria Graça P. M. S.; Silva, Artur M. S.; Cavaleiro, José A. S.; Almeida Paz, Filipe A.; Faustino, Maria Amparo F.","An easy synthetic access to new pyrazole spiro derivatives from 3-amino-1-phenyl-2-pyrazolin-5-one","New J. Chem.","2015","39","9","6738","","10.1039/C5NJ01306B","","","0.71073","MoKα","","0.1132","0.0812","","","0.2063","0.2254","","","","","","1.025","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7055002","11.14","0.005","23.478","0.01","13.342","0.006","90","","92.663","0.005","90","","3486","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 I12 N6 O0 Pb3 -","- C48 H48 I12 N6 Pb3 -","- C96 H96 I24 N12 Pb6 -","2","0.5","","Wang, Chao-Hai; Du, Hai-Juan; Li, Yao; Niu, Yun-Yin; Hou, Hong-Wei","Crystal structures and photocatalytic properties of two novel iodoplumbate hybrids templated by multivalent organic cations","New J. Chem.","2015","39","9","7372","","10.1039/C5NJ01240F","","","0.71073","MoKα","","0.0571","0.0413","","","0.1022","0.1105","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055003","19.5741","0.0006","15.1598","0.0005","15.981","0.0007","90","","97.571","0.004","90","","4700.9","0.3","291","2","291.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H32 I9 N3 O Pb3 -","- C27 H30 I9 N3 O Pb3 -","- C108 H120 I36 N12 O4 Pb12 -","4","1","","Wang, Chao-Hai; Du, Hai-Juan; Li, Yao; Niu, Yun-Yin; Hou, Hong-Wei","Crystal structures and photocatalytic properties of two novel iodoplumbate hybrids templated by multivalent organic cations","New J. Chem.","2015","39","9","7372","","10.1039/C5NJ01240F","","","0.71073","MoKα","","0.0623","0.0427","","","0.0786","0.0876","","","","","","0.998","","","","has coordinates","155221","2020-10-21","18:00:00",""
"7055004","8.258","0.001","11.221","0.002","21.508","0.003","90","","97.19","0.002","90","","1977.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu N3 O5 -","- C21 H19 Cu N3 O5 -","- C84 H76 Cu4 N12 O20 -","4","1","","Das, Kuheli; Panda, Uttam; Datta, Amitabha; Roy, Suman; Mondal, Sudipa; Massera, Chiara; Askun, Tulin; Celikboyun, Pinar; Garribba, Eugenio; Sinha, Chittaranjan; Anand, Kushi; Akitsu, Takashiro; Kobayashi, Kana","An enolato-bridged dinuclear Cu(ii) complex with a coumarin-assisted precursor: a spectral, magnetic and biological study","New J. Chem.","2015","39","9","7309","","10.1039/C5NJ00789E","","","0.71069","MoKα","","0.0483","0.0358","","","0.0963","0.104","","","","","","1.046","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7055005","25.45","0.005","11.928","0.005","25.835","0.005","90","","116.777","0.005","90","","7002","4","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C63 H73 Cd2.5 N9 Na O19 -","- C60 H65.95 Cd2.5 N8 Na O18 -","- C240 H263.8 Cd10 N32 Na4 O72 -","4","1","","Hu, Xiao-Li; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Cluster-based metal‒organic frameworks as sensitive and selective luminescent probes for sensing nitro explosives","New J. Chem.","2015","39","10","7858","","10.1039/C5NJ01237F","","","0.71069","MoKα","","0.224","0.0979","","","0.244","0.3129","","","","","","1.006","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7055006","14.202","0.0011","15.9564","0.0014","16.102","0.0011","116.872","0.005","93.433","0.005","92.854","0.005","3236.9","0.5","123","1","123.15","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 Ce2 O21 -","- C54 H60 Ce2 O21 -","- C108 H120 Ce4 O42 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1022","0.0676","","","0.1755","0.1891","","","","","","0.986","","","","has coordinates,has disorder","162018","2020-10-21","18:00:00",""
"7055007","24.425","0.005","5.3513","0.0011","22.945","0.005","90","","90","","90","","2999","1.1","123","1","123.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H31 Er O11 -","- C27 H31 Er O11 -","- C108 H124 Er4 O44 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1041","0.0627","","","0.1225","0.1337","","","","","","1.042","","","","has coordinates","162018","2020-10-21","18:00:00",""
"7055008","15.2502","0.0009","16.6406","0.001","25.6709","0.0014","89.014","0.002","78.289","0.002","64.668","0.003","5747.7","0.6","123","1","123.15","","","","","","","","","4","P -1","-P 1","2","","","","- C109 H132 La4 O47 -","- C109 H132 La4 O47 -","- C218 H264 La8 O94 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1116","0.0814","","","0.1419","0.1571","","","","","","1.238","","","","has coordinates","162018","2020-10-21","18:00:00",""
"7055009","13.345","0.003","8.0505","0.0016","24.55","0.005","90","","96.45","0.03","90","","2620.8","1","123","1","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Lu O10 -","- C27 H29 Lu O10 -","- C108 H116 Lu4 O40 -","4","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1063","0.0714","","","0.1632","0.1857","","","","","","1.045","","","","has coordinates","162018","2020-10-21","18:00:00",""
"7055010","15.0063","0.0007","15.3267","0.0007","16.4093","0.0007","103.726","0.002","107.053","0.002","94.662","0.002","3458.6","0.3","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C63 H73 Ce2 Na O26 -","- C63 H61 Ce2 Na O26 -","- C126 H122 Ce4 Na2 O52 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1365","0.1257","","","0.3033","0.3247","","","","","","1.104","","","","has coordinates","162018","2020-10-21","18:00:00",""
"7055011","15.328","0.003","15.48","0.003","16.3","0.003","78.16","0.03","70.63","0.03","86.33","0.03","3571","1.4","123","1","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H83 Na Nd2 O27 -","- C67 H83 Na Nd2 O27 -","- C134 H166 Na2 Nd4 O54 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun","Rare earth 3-(4′-hydroxyphenyl)propionate complexes","New J. Chem.","2015","39","10","7688","","10.1039/C5NJ00787A","","","0.71073","MoKα","","0.1318","0.0687","","","0.1616","0.1896","","","","","","1.049","","","","has coordinates","162018","2020-10-21","18:00:00",""
"7055015","19.2529","0.0002","20.832","0.0003","17.2971","0.0003","90","","90","","90","","6937.46","0.17","133","2","133","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H56 F24 O29 Ti4 Zn2 -","- C44 H56 F24 O29 Ti4 Zn2 -","- C176 H224 F96 O116 Ti16 Zn8 -","4","1","","Ehsan, Muhammad Ali; Khaledi, Hamid; Pandikumar, Alagarsamy; Rameshkumar, Perumal; Huang, Nay Ming; Arifin, Zainudin; Mazhar, Muhammad","Nitrite ion sensing properties of ZnTiO3‒TiO2composite thin films deposited from a zinc‒titanium molecular complex","New J. Chem.","2015","39","9","7442","","10.1039/C5NJ00850F","","","0.71073","MoKα","","0.0837","0.0702","","","0.1943","0.2085","","","","","","1.039","","","","has coordinates,has disorder","155218","2020-10-21","18:00:00",""
"7055016","6.6627","0.0004","9.345","0.0006","13.5348","0.0007","98.497","0.003","102.934","0.004","107.792","0.003","760.54","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","b(HTT08MR","3,7-bis[5-(5-hexylthiophen-2-yl)thienyl]-1,5,2,4,6,8-dithiatetrazocine","","- C15 H17 N2 S3 -","- C15 H17 N2 S3 -","- C30 H34 N4 S6 -","2","1","","Magnan, François; Korobkov, Ilia; Brusso, Jaclyn","Influence of substitution pattern and enhanced π-conjugation on a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines","New J. Chem.","2015","39","9","7272","","10.1039/C5NJ01345C","","","0.71073","MoKα","","0.0424","0.0312","","","0.0792","0.0853","","","","","","1.019","","","","has coordinates","162136","2020-10-21","18:00:00",""
"7055017","5.6479","0.0006","28.28","0.003","6.4275","0.0007","90","","110.342","0.006","90","","962.59","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","b(TT)8MR","3,7-bis([5-(thiophen-2-yl)thienyl])-1,5,2,4,6,8-dithiatetrazocine","","- C18 H10 N4 S6 -","- C18 H10 N4 S6 -","- C36 H20 N8 S12 -","2","0.5","","Magnan, François; Korobkov, Ilia; Brusso, Jaclyn","Influence of substitution pattern and enhanced π-conjugation on a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines","New J. Chem.","2015","39","9","7272","","10.1039/C5NJ01345C","","","0.71073","MoKα","","0.1155","0.0809","","","0.1823","0.1987","","","","","","1.087","","","","has coordinates,has disorder","162136","2020-10-21","18:00:00",""
"7055018","11.837","0.004","5.482","0.002","18.312","0.006","90","","92.953","0.012","90","","1186.7","0.7","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","b(4HT)8MR","3,7-bis(4-hexylthienyl)-1,5,2,4,6,8-dithiatetrazocine","","- C22 H30 N4 S4 -","- C22 H30 N4 S4 -","- C44 H60 N8 S8 -","2","0.5","","Magnan, François; Korobkov, Ilia; Brusso, Jaclyn","Influence of substitution pattern and enhanced π-conjugation on a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines","New J. Chem.","2015","39","9","7272","","10.1039/C5NJ01345C","","","0.71073","MoKα","","0.1625","0.0746","","","0.158","0.1893","","","","","","1.01","","","","has coordinates","162136","2020-10-21","18:00:00",""
"7055019","8.6469","0.0007","34.562","0.003","11.4333","0.001","90","","109.165","0.005","90","","3227.5","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H34 Cl Cu N3 O4 -","- C37 H34 Cl Cu N3 O4 -","- C148 H136 Cl4 Cu4 N12 O16 -","4","2","","Mahendiran, Dharmasivam; Gurumoorthy, Perumal; Gunasekaran, Krishnasamy; Senthil Kumar, Raju; Rahiman, Aziz Kalilur","Structural modeling, in vitro antiproliferative activity, and the effect of substituents on the DNA fastening and scission actions of heteroleptic copper(ii) complexes with terpyridines and naproxen","New J. Chem.","2015","39","10","7895","","10.1039/C5NJ01059D","","","0.71073","MoKα","","0.1407","0.0994","","","0.2307","0.2528","","","","","","1.104","","","","has coordinates","162108","2020-10-21","18:00:00",""
"7055020","8.59","0.005","10.579","0.005","18.094","0.005","83.522","0.005","84.936","0.005","69.681","0.005","1530","1.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C33.5 H30 Cl Cu N3 O5.5 -","- C33.5 H30 Cl Cu N3 O5.5 -","- C67 H60 Cl2 Cu2 N6 O11 -","2","2","","Mahendiran, Dharmasivam; Gurumoorthy, Perumal; Gunasekaran, Krishnasamy; Senthil Kumar, Raju; Rahiman, Aziz Kalilur","Structural modeling, in vitro antiproliferative activity, and the effect of substituents on the DNA fastening and scission actions of heteroleptic copper(ii) complexes with terpyridines and naproxen","New J. Chem.","2015","39","10","7895","","10.1039/C5NJ01059D","","","0.71073","MoKα","","0.0599","0.0406","","","0.0952","0.1053","","","","","","0.973","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7055021","10.0809","0.0019","11.449","0.002","7.5369","0.0015","90","","100.493","0.003","90","","855.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H3 Ag N4 -","- C2 H3 Ag N4 -","- C16 H24 Ag8 N32 -","8","1","","Qu, Xiaoni; Zhang, Sheng; Yang, Qi; Su, Zhiyong; Wei, Qing; Xie, Gang; Chen, Sanping","Silver(i)-based energetic coordination polymers: synthesis, structure and energy performance","New J. Chem.","2015","39","10","7849","","10.1039/C5NJ01623A","","","0.71073","MoKα","","0.0359","0.0315","","","0.1065","0.1121","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055022","3.6019","0.0007","11.273","0.002","11.6","0.002","90","","93.389","0.003","90","","470.19","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H Ag N4 O2 -","- C2 H Ag N4 O2 -","- C8 H4 Ag4 N16 O8 -","4","1","","Qu, Xiaoni; Zhang, Sheng; Yang, Qi; Su, Zhiyong; Wei, Qing; Xie, Gang; Chen, Sanping","Silver(i)-based energetic coordination polymers: synthesis, structure and energy performance","New J. Chem.","2015","39","10","7849","","10.1039/C5NJ01623A","","","0.71073","MoKα","","0.0294","0.0244","","","0.0556","0.058","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055023","11.6556","0.0009","14.2528","0.0015","13.4694","0.0012","90","","98.262","0.007","90","","2214.4","0.4","293","2","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H28 Au2 Cu N8 O3 -","- C13 H28 Au2 Cu N8 O3 -","- C52 H112 Au8 Cu4 N32 O12 -","4","0.5","","Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer","Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures","New J. Chem.","2015","39","10","8136","","10.1039/C5NJ01108F","","","0.71073","MoKα","","0.0572","0.0497","","","0.1301","0.1351","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055024","10.895","0.0006","12.6494","0.0006","15.5745","0.0009","90","","101.857","0.005","90","","2100.6","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H26 Au2 N8 O3 Zn -","- C12 H26 Au2 N8 O3 Zn -","- C48 H104 Au8 N32 O12 Zn4 -","4","0.5","","Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer","Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures","New J. Chem.","2015","39","10","8136","","10.1039/C5NJ01108F","","","0.71073","MoKα","","0.0536","0.0363","","","0.082","0.0869","","","","","","0.947","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055025","11.0302","0.0009","13.1045","0.0006","15.5492","0.0011","90","","101.28","0.006","90","","2204.1","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H24 Au2 Cd N8 O3 -","- C12 H24 Au2 Cd N8 O3 -","- C48 H96 Au8 Cd4 N32 O12 -","4","0.5","","Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer","Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures","New J. Chem.","2015","39","10","8136","","10.1039/C5NJ01108F","","","0.71073","MoKα","","0.0509","0.0428","","","0.1031","0.1071","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055026","12.7243","0.001","10.1559","0.0008","7.678","0.0006","90","","95.932","0.0017","90","","986.89","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Br2 Se -","- C8 H12 Br2 Se -","- C32 H48 Br8 Se4 -","4","0.5","","Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G.","2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation","New J. Chem.","2015","39","10","8055","","10.1039/C5NJ00684H","","","0.71073","MoKα","","0.0317","0.026","","","0.0661","0.069","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055027","15.5132","0.0015","7.6193","0.0008","7.9082","0.0008","90","","90","","90","","934.75","0.16","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cl2 Se -","- C8 H12 Cl2 Se -","- C32 H48 Cl8 Se4 -","4","0.5","","Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G.","2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation","New J. Chem.","2015","39","10","8055","","10.1039/C5NJ00684H","","","0.71073","MoKα","","0.0374","0.0273","","","0.0632","0.0664","","","","","","1.02","","","","has coordinates","162103","2020-10-21","18:00:00",""
"7055028","7.5401","0.0005","11.0902","0.0007","12.9721","0.0008","90","","90.385","0.0015","90","","1084.72","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cl6 Se3 -","- C16 H24 Cl6 Se3 -","- C32 H48 Cl12 Se6 -","2","0.5","","Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G.","2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation","New J. Chem.","2015","39","10","8055","","10.1039/C5NJ00684H","","","0.71073","MoKα","","0.04","0.0317","","","0.0812","0.0858","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055029","11.9328","0.001","12.2111","0.001","18.6534","0.0016","90","","90","","90","","2718","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","compound-1","","- C11 H10 Cl2 Cu N2 Se2 -","- C11 H10 Cl2 Cu N2 Se2 -","- C88 H80 Cl16 Cu8 N16 Se16 -","8","1","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0285","0.0203","","","0.0924","0.1039","","","","","","0.852","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055030","9.086","0.0002","9.1684","0.0002","10.5159","0.0003","70.96","0.001","88.276","0.001","77.37","0.001","807.25","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","compound-2","","- C22 H20 Cu4 I4 N4 Se4 -","- C22 H20 Cu4 I4 N4 Se4 -","- C22 H20 Cu4 I4 N4 Se4 -","1","0.5","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0243","0.0193","","","0.0475","0.0489","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055031","8.2538","0.001","8.7192","0.001","11.6817","0.0012","87.058","0.009","81.017","0.009","62.798","0.008","738.35","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","compound-3","","- C26 H28 Cl2 Cu N4 Se4 -","- C26 H28 Cl2 Cu N4 Se4 -","- C26 H28 Cl2 Cu N4 Se4 -","1","0.5","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0498","0.0357","","","0.106","0.118","","","","","","0.781","","","","has coordinates","162074","2020-10-21","18:00:00",""
"7055032","20.476","0.002","8.5749","0.0006","21.202","0.002","90","","115.735","0.008","90","","3353.4","0.6","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","compound-4","","- C13 H14 Cl2 Co N2 Se2 -","- C13 H14 Cl2 Co N2 Se2 -","- C104 H112 Cl16 Co8 N16 Se16 -","8","2","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.1577","0.0479","","","0.0512","0.0701","","","","","","0.717","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055033","9.791","0.001","4.442","0.001","20.883","0.003","90","","90.96","0.01","90","","908.1","0.3","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","compound-5","","- C13 H14 Ag N3 O3 Se2 -","- C13 H14 Ag N3 O3 Se2 -","- C26 H28 Ag2 N6 O6 Se4 -","2","0.5","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0878","0.0572","","","0.1522","0.166","","","","","","0.947","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055034","10.2403","0.0003","11.4552","0.0003","14.8043","0.0004","90","","90","","90","","1736.61","0.08","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","compound-6","","- C14 H16 Cl2 Cu N2 Se2 -","- C14 H16 Cl2 Cu N2 Se2 -","- C56 H64 Cl8 Cu4 N8 Se8 -","4","0.5","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0294","0.0217","","","0.0515","0.0557","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055035","13.127","0.0002","13.7157","0.0002","12.1763","0.0002","90","","103.203","0.002","90","","2134.35","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl Cu N3 O6 -","- C22 H24 Cl Cu N3 O6 -","- C88 H96 Cl4 Cu4 N12 O24 -","4","1","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","1.54184","CuKα","","0.0351","0.0308","","","0.0809","0.0844","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055036","11.5021","0.0003","18.7307","0.0005","20.7277","0.0007","90","","95.504","0.001","90","","4445","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 Cl Cu N3 O6 -","- C19 H24 Cl Cu N3 O6 -","- C152 H192 Cl8 Cu8 N24 O48 -","8","1","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","0.71073","MoKα","","0.0504","0.0456","","","0.1319","0.1359","","","","","","1.048","","","","has coordinates","155214","2020-10-21","18:00:00",""
"7055037","13.9094","0.0003","18.2391","0.0004","20.6775","0.0006","90.039","0.002","91.901","0.002","111.884","0.002","4864.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H62 Cl2 Cu2 N6 O15 -","- C44 H62 Cl2 Cu2 N6 O15 -","- C176 H248 Cl8 Cu8 N24 O60 -","4","2","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","1.54184","CuKα","","0.173","0.1565","","","0.3844","0.3908","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055038","19.0697","0.0004","10.6833","0.0002","18.9974","0.0003","90","","95.766","0.002","90","","3850.71","0.12","89","2","89","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 Cl Cu N3 O6 -","- C18 H22 Cl Cu N3 O6 -","- C144 H176 Cl8 Cu8 N24 O48 -","8","1","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","0.71073","MoKα","","0.0404","0.0382","","","0.1218","0.1244","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055039","12.2844","0.0002","14.1806","0.0002","23.149","0.0003","90","","90","","90","","4032.56","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H48 Cl2 Cu2 N6 O12 -","- C38 H48 Cl2 Cu2 N6 O12 -","- C152 H192 Cl8 Cu8 N24 O48 -","4","0.5","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","1.54184","CuKα","","0.1021","0.0878","","","0.2612","0.2657","","","","","","1.355","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055040","54.957","0.002","9.4249","0.0005","23.8226","0.0008","90","","110.27","0.004","90","","11575.1","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H88 N4 O6 -","- C66 H88 N4 O6 -","- C528 H704 N32 O48 -","8","1","","Porada, Jan H.; Neudörfl, Jörg-M.; Blunk, Dirk","Planar and distorted indigo as the core motif in novel chromophoric liquid crystals","New J. Chem.","2015","39","11","8291","","10.1039/C5NJ01594D","","","1.54184","CuKα","","0.0932","0.0569","","","0.122","0.1386","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055041","8.3342","0.0008","55.144","0.005","10.6926","0.001","90","","104.663","0.001","90","","4754.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 N2 O6 -","- C56 H70 N2 O6 -","- C224 H280 N8 O24 -","4","1","","Porada, Jan H.; Neudörfl, Jörg-M.; Blunk, Dirk","Planar and distorted indigo as the core motif in novel chromophoric liquid crystals","New J. Chem.","2015","39","11","8291","","10.1039/C5NJ01594D","","","0.71073","MoKα","","0.104","0.0475","","","0.1043","0.132","","","","","","0.918","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055042","16.6007","0.001","11.3683","0.001","20.5655","0.001","90","","120","","90","","3361.2","0.4","298","","298","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 N4 O3 -","- C37 H42 N4 O3 -","- C148 H168 N16 O12 -","4","1","","Girgis, Adel S.; Mabied, Ahmed F.; Stawinski, Jacek; Hegazy, Lamees; George, Riham F.; Farag, Hanaa; Shalaby, ElSayed M.; Farag, I. S. Ahmed","Synthesis and DFT studies of an antitumor active spiro-oxindole","New J. Chem.","2015","39","10","8017","","10.1039/C5NJ01109D","","","0.71073","MoKα","","0.2446","0.0476","","0.1288","0.0979","0.0979","","","","","","0.9671","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055043","11.347","0.003","11.36","0.003","16.303","0.007","99.15","0.005","93.557","0.005","118.858","0.003","1793.5","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Ce Fe I N2 O2 Si2 -","- C30 H54 Ce Fe I N2 O2 Si2 -","- C60 H108 Ce2 Fe2 I2 N4 O4 Si4 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0387","0.033","","","0.0763","0.079","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055044","14.879","0.004","13.738","0.004","15.468","0.004","90","","91.074","0.003","90","","3161.2","1.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H92 Fe2 I2 N4 O2 Pr2 Si4 -","- C52 H92 Fe2 I2 N4 O2 Pr2 Si4 -","- C104 H184 Fe4 I4 N8 O4 Pr4 Si8 -","2","0.5","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0299","0.0226","","","0.0493","0.052","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055045","11.253","0.0013","11.6706","0.0013","16.3205","0.0019","101.063","0.001","92.506","0.001","118.408","0.001","1827.5","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Fe I N2 O2 Si2 Sm -","- C30 H54 Fe I N2 O2 Si2 Sm -","- C60 H108 Fe2 I2 N4 O4 Si4 Sm2 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0451","0.0371","","","0.0807","0.0854","","","","","","1.043","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7055046","11.13","0.004","11.608","0.005","16.122","0.009","101.564","0.006","91.881","0.006","118.404","0.004","1775","1.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Fe I N2 O2 Si2 Tb -","- C30 H54 Fe I N2 O2 Si2 Tb -","- C60 H108 Fe2 I2 N4 O4 Si4 Tb2 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0805","0.0589","","","0.1309","0.1467","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055047","11.14","0.003","11.605","0.003","16.073","0.007","101.474","0.005","92.374","0.005","118.292","0.003","1770.8","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Fe I N2 O2 Si2 Tm -","- C30 H54 Fe I N2 O2 Si2 Tm -","- C60 H108 Fe2 I2 N4 O4 Si4 Tm2 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0757","0.0609","","","0.1296","0.1399","","","","","","1.063","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055048","11.5979","0.0017","11.6945","0.0017","16.109","0.002","76.069","0.002","78.51","0.002","56.888","0.002","1770.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Fe I N2 O2 Si2 Yb -","- C30 H54 Fe I N2 O2 Si2 Yb -","- C60 H108 Fe2 I2 N4 O4 Si4 Yb2 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0513","0.042","","","0.0993","0.1074","","","","","","1.143","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055049","13.541","0.002","19.611","0.003","20.563","0.003","90","","90","","90","","5460.6","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H84 Fe2 K N4 Si4 Yb -","- C51 H84 Fe2 K N4 Si4 Yb -","- C204 H336 Fe8 K4 N16 Si16 Yb4 -","4","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0339","0.0298","","","0.0744","0.0761","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055050","10.605","0.004","11.35","0.004","16.204","0.006","100.677","0.004","94.486","0.004","114.277","0.004","1721","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Cl Fe N2 O2 Si2 Yb -","- C30 H54 Cl Fe N2 O2 Si2 Yb -","- C60 H108 Cl2 Fe2 N4 O4 Si4 Yb2 -","2","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0388","0.0347","","","0.0926","0.0945","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055051","12.0342","0.0003","17.4069","0.0004","9.4392","0.0002","90","","91.757","0.002","90","","1976.38","0.08","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","1","","Liang, Zuo-Qin; Wang, Xiao-Mei; Dai, Guo-Liang; Ye, Chang-Qing; Zhou, Yu-Yang; Tao, Xu-Tang","The solvatochromism and aggregation-induced enhanced emission based on triphenylamine-propenone","New J. Chem.","2015","39","11","8874","","10.1039/C5NJ01072A","","","0.71073","MOKα","","0.096","0.0567","","","0.1507","0.1864","","","","","","1.032","","","","has coordinates","171311","2020-10-21","18:00:00",""
"7055052","12.1179","0.0007","17.3412","0.001","9.5281","0.0006","90","","91.21","0.004","90","","2001.8","0.2","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Liang, Zuo-Qin; Wang, Xiao-Mei; Dai, Guo-Liang; Ye, Chang-Qing; Zhou, Yu-Yang; Tao, Xu-Tang","The solvatochromism and aggregation-induced enhanced emission based on triphenylamine-propenone","New J. Chem.","2015","39","11","8874","","10.1039/C5NJ01072A","","","0.7107","MoKα","","0.0905","0.0461","","","0.0944","0.1142","","","","","","0.981","","","","has coordinates","171311","2020-10-21","18:00:00",""
"7055053","10.3265","0.0019","17.115","0.003","17.194","0.003","90","","96.575","0.003","90","","3018.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Gd N7 Ni O15 -","- C22 H24 Gd N7 Ni O15 -","- C88 H96 Gd4 N28 Ni4 O60 -","4","1","","Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su","Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue","New J. Chem.","2015","39","11","8356","","10.1039/C5NJ01708D","","","0.71073","MoKα","","0.0326","0.0287","","","0.0736","0.0758","","","","","","1.074","","","","has coordinates","171312","2020-10-21","18:00:00",""
"7055054","10.309","0.003","17.095","0.005","17.232","0.005","90","","96.548","0.004","90","","3017","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N7 Ni O15 Tb -","- C22 H24 N7 Ni O15 Tb -","- C88 H96 N28 Ni4 O60 Tb4 -","4","1","","Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su","Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue","New J. Chem.","2015","39","11","8356","","10.1039/C5NJ01708D","","","0.71073","MoKα","","0.0245","0.0202","","","0.0495","0.0508","","","","","","1.104","","","","has coordinates","171312","2020-10-21","18:00:00",""
"7055055","21.577","0.003","9.4531","0.0012","15.866","0.002","90","","114.88","0.002","90","","2935.8","0.7","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H24 Dy N7 Ni O15 -","- C22 H24 Dy N7 Ni O15 -","- C88 H96 Dy4 N28 Ni4 O60 -","4","1","","Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su","Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue","New J. Chem.","2015","39","11","8356","","10.1039/C5NJ01708D","","","0.71073","MoKα","","0.016","0.0153","","","0.0354","0.0357","","","","","","0.874","","","","has coordinates","171312","2020-10-21","18:00:00",""
"7055056","10.0281","0.0014","12.0551","0.0017","15.254","0.002","71.779","0.002","86.572","0.002","68.175","0.002","1622.7","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H32 N5 Ni O17 Tb -","- C23 H32 N5 Ni O17 Tb -","- C46 H64 N10 Ni2 O34 Tb2 -","2","1","","Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su","Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue","New J. Chem.","2015","39","11","8356","","10.1039/C5NJ01708D","","","0.71073","MoKα","","0.035","0.0318","","","0.0891","0.0911","","","","","","1.023","","","","has coordinates","171312","2020-10-21","18:00:00",""
"7055057","10.0241","0.0017","12.042","0.002","15.27","0.003","71.869","0.002","86.592","0.003","68.157","0.002","1622.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H32 Dy N5 Ni O17 -","- C23 H32 Dy N5 Ni O17 -","- C46 H64 Dy2 N10 Ni2 O34 -","2","1","","Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su","Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue","New J. Chem.","2015","39","11","8356","","10.1039/C5NJ01708D","","","0.71073","MoKα","","0.0428","0.0379","","","0.1062","0.1108","","","","","","0.904","","","","has coordinates","171312","2020-10-21","18:00:00",""
"7055058","9.9779","0.0011","11.5105","0.0012","13.4027","0.0014","91.472","0.006","107.929","0.006","109.296","0.006","1368.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 Br3 O5 -","- C30 H26 Br3 O5 -","- C60 H52 Br6 O10 -","2","1","","Pavan Kumar, Chottanahalli S.; Harsha, Kachigere B.; Sandhya, Nagarakere C.; Ramesha, Ajjalli B.; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.","Highly diastereoselective synthesis of polycyclic amines via redox neutral C‒H functionalization","New J. Chem.","2015","39","11","8397","","10.1039/C5NJ01706H","","","1.54178","CuKα","","0.3233","0.2921","","","0.6761","0.7025","","","","","","6.633","","","","has coordinates","171322","2020-10-21","18:00:00",""
"7055059","9.5848","0.0007","11.0031","0.0008","14.0353","0.0011","87.764","0.002","70.878","0.002","65.624","0.002","1265.88","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Br Cl N2 O3 -","- C30 H26 Br Cl N2 O3 -","- C60 H52 Br2 Cl2 N4 O6 -","2","1","","Pavan Kumar, Chottanahalli S.; Harsha, Kachigere B.; Sandhya, Nagarakere C.; Ramesha, Ajjalli B.; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.","Highly diastereoselective synthesis of polycyclic amines via redox neutral C‒H functionalization","New J. Chem.","2015","39","11","8397","","10.1039/C5NJ01706H","","","1.54178","CuKα","","0.0335","0.0331","","","0.0959","0.0965","","","","","","1.103","","","","has coordinates","171322","2020-10-21","18:00:00",""
"7055060","17.574","0.0017","8.964","0.0009","20.843","0.002","90","","106.682","0.004","90","","3145.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N2 O6 S2 -","- C35 H36 N2 O6 S2 -","- C140 H144 N8 O24 S8 -","4","1","","Pavan Kumar, Chottanahalli S.; Harsha, Kachigere B.; Sandhya, Nagarakere C.; Ramesha, Ajjalli B.; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S.","Highly diastereoselective synthesis of polycyclic amines via redox neutral C‒H functionalization","New J. Chem.","2015","39","11","8397","","10.1039/C5NJ01706H","","","1.54178","CuKα","","0.0596","0.0545","","","0.1671","0.1727","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055061","35.8393","0.0017","10.627","0.0004","15.166","0.0007","90","","114.399","0.005","90","","5260.3","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C240 H192 F48 N16 O16 -","16","2","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0635","0.0417","","","0.0888","0.1008","","","","","","1.05","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055062","15.1633","0.0005","9.9603","0.0003","17.7768","0.0006","90","","97.269","0.002","90","","2663.27","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C120 H96 F24 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0659","0.049","","","0.1259","0.1356","","","","","","1.061","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055063","9.6555","0.0007","13.742","0.0011","19.3339","0.0015","90","","90","","90","","2565.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C120 H96 F24 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.058","0.0398","","","0.0901","0.1028","","","","","","1.055","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055064","8.9803","0.0004","10.8526","0.0004","14.8181","0.0005","90","","92.763","0.003","90","","1442.49","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0434","0.0368","","","0.0933","0.0982","","","","","","1.043","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055065","9.0978","0.0007","22.1735","0.0015","7.9449","0.0005","90","","101.946","0.004","90","","1568.02","0.19","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0637","0.0482","","","0.1285","0.1388","","","","","","1.066","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055066","8.3764","0.0005","23.2362","0.0017","7.9755","0.0006","90","","103.567","0.002","90","","1509","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0534","0.041","","","0.0993","0.1059","","","","","","1.033","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055067","11.2958","0.0005","14.0246","0.0004","10.4868","0.0003","90","","115.258","0.004","90","","1502.48","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0499","0.0411","","","0.0993","0.1065","","","","","","1.066","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055068","12.3185","0.001","7.9401","0.0005","15.4912","0.0012","90","","90.168","0.004","90","","1515.19","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.059","0.0384","","","0.0865","0.093","","","","","","1.034","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055069","8.9977","0.0004","10.8088","0.0005","16.672","0.0009","105.291","0.002","98.901","0.002","102.688","0.002","1486.36","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","2","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0602","0.043","","","0.104","0.1143","","","","","","1.039","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055070","10.7818","0.0007","10.2566","0.0006","14.5072","0.0009","90","","109.917","0.007","90","","1508.32","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-(3,3-diethoxy-1,2-diiodoprop-1-en-1-yl)benzene","","- C13 H16 I2 O2 -","- C13 H16 I2 O2 -","- C52 H64 I8 O8 -","4","1","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71069","MoKα","","0.0472","0.0307","","","0.0593","0.0656","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055071","11.3978","0.0004","7.2145","0.0002","18.1044","0.0006","90","","98.253","0.003","90","","1473.3","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-(3,3-diethoxy-1,2-diiodoprop-1-en-1-yl)benzene","","- C13 H16 I2 O2 -","- C13 H16 I2 O2 -","- C52 H64 I8 O8 -","4","1","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71069","MoKα","","0.0294","0.0231","","","0.0531","0.0566","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055072","10.1365","0.0004","15.9425","0.0006","5.7295","0.0002","90","","94.279","0.004","90","","923.31","0.06","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-(1,2-diiodovinyl)benzene","","- C8 H6 I2 -","- C8 H6 I2 -","- C32 H24 I8 -","4","0.5","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0245","0.0176","","","0.0404","0.0415","","","","","","1.027","","","","has coordinates","171310","2020-10-21","18:00:00",""
"7055073","5.7078","0.0003","17.4128","0.0008","7.0077","0.0004","90","","110.984","0.006","90","","650.3","0.06","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-1,2-diiodo-1,2-diphenylethene","","- C14 H10 I2 -","- C14 H10 I2 -","- C28 H20 I4 -","2","0.5","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.021","0.0162","","","0.0368","0.0374","","","","","","1.053","","","","has coordinates,has disorder","171310","2020-10-21","18:00:00",""
"7055074","8.6795","0.0004","7.5937","0.0002","8.552","0.0004","90","","108.798","0.005","90","","533.59","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,3-diiodofumarate","","- C6 H6 I2 O4 -","- C6 H6 I2 O4 -","- C12 H12 I4 O8 -","2","0.5","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0211","0.0174","","","0.042","0.0427","","","","","","0.969","","","","has coordinates,has disorder","171310","2020-10-21","18:00:00",""
"7055075","23.9673","0.0005","23.9673","0.0005","7.5322","0.0003","90","","90","","90","","4326.7","0.2","173","2","173","2","","","","","","","","4","I 41/a","-I 4ad","88","","(E)-2,3-diiodo-3-phenylprop-2-en-1-ol","","- C9 H8 I2 O -","- C9 H8 I2 O -","- C144 H128 I32 O16 -","16","","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0386","0.0225","","","0.0412","0.0432","","","","","","0.89","","","","has coordinates,has disorder","171310","2020-10-21","18:00:00",""
"7055076","12.8366","0.0005","7.0467","0.0002","14.279","0.0006","90","","96.053","0.004","90","","1284.42","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-ethyl 2,3-diiodo-3-phenylacrylate","","- C11 H10 I2 O2 -","- C11 H10 I2 O2 -","- C44 H40 I8 O8 -","4","1","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0416","0.0232","","","0.0424","0.0449","","","","","","0.917","","","","has coordinates,has disorder","171310","2020-10-21","18:00:00",""
"7055077","18.9368","0.0009","7.607","0.0003","22.9348","0.0012","90","","109.349","0.006","90","","3117.2","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-(1,2-diiodoprop-1-en-1-yl)benzene","","- C9 H8 I2 -","- C9 H8 I2 -","- C108 H96 I24 -","12","3","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0457","0.0282","","","0.0525","0.0552","","","","","","0.857","","","","has coordinates,has disorder","171310","2020-10-21","18:00:00",""
"7055078","20.5998","0.0015","7.1799","0.0002","18.253","0.002","90","","120.835","0.011","90","","2318.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-methyl 2,3-diiodo-3-phenylacrylate","","- C10 H8 I2 O2 -","- C10 H8 I2 O2 -","- C80 H64 I16 O16 -","8","1","","Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin","Halogen bonding in the crystal structures of 1,2-diiodo alkenes","New J. Chem.","2015","39","11","8522","","10.1039/C5NJ00821B","","","0.71073","MoKα","","0.0367","0.025","","","0.0531","0.0547","","","","","","0.94","","","","has coordinates","171310","2020-10-21","18:00:00",""
"7055080","6.1217","0.0011","24.779","0.005","12.246","0.002","90","","98.345","0.003","90","","1837.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O5 S -","- C20 H16 N4 O5 S -","- C80 H64 N16 O20 S4 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Simagina, Anna A.; Churakov, Andrei V.; Skachilova, Sophia Y.; Perlovich, German L.","Saccharin salts of biologically active hydrazone derivatives","New J. Chem.","2015","39","11","8614","","10.1039/C5NJ01532D","","","0.71073","MoKα","","0.0794","0.0549","","","0.1114","0.1198","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055081","6.1904","0.0009","26.105","0.004","12.4015","0.0018","90","","100.464","0.002","90","","1970.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O6 S -","- C21 H18 N4 O6 S -","- C84 H72 N16 O24 S4 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Simagina, Anna A.; Churakov, Andrei V.; Skachilova, Sophia Y.; Perlovich, German L.","Saccharin salts of biologically active hydrazone derivatives","New J. Chem.","2015","39","11","8614","","10.1039/C5NJ01532D","","","0.71073","MoKα","","0.085","0.0463","","","0.0974","0.1112","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055082","18.766","0.003","18.766","0.003","24.688","0.002","90","","90","","120","","7529.4","1.8","120","0.1","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H30 Cl6 N6 O11 Pd3 -","- C42 H30 Cl6 N6 O11 Pd3 -","- C252 H180 Cl36 N36 O66 Pd18 -","6","0.333333","","Karami, Kazem; Lighvan, Zohreh Mehri; Barzani, Somayeh Asgari; Faal, Ali Yeganeh; Poshteh-Shirani, Marziyeh; Khayamian, Taghi; Eigner, Václav; Dušek, Michal","Design and synthesis of a novel trinuclear palladium(ii) complex containing an oxime chelate ligand: determining the interaction mechanism with the DNA groove and BSA site I by spectroscopic and molecular dynamics simulation approaches","New J. Chem.","2015","39","11","8708","","10.1039/C5NJ01280E","","x-ray","1.54184","CuKα","","0.1268","0.0726","","","0.1653","0.1956","","","","1.69","1.69","1.37","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055083","24.539","0.006","20.456","0.005","15.357","0.004","90","","97.384","0.007","90","","7645","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H71 N11 O10.5 Yb -","- C73 H71 N11 O10.5 Yb -","- C292 H284 N44 O42 Yb4 -","4","1","","Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun","Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series","New J. Chem.","2015","39","11","8650","","10.1039/C5NJ01724F","","","0.71073","MoKα","","0.1256","0.0802","","","0.2181","0.2529","","","","","","1.052","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7055084","13.003","0.005","14.986","0.002","15.684","0.002","117.719","0.004","95.949","0.006","92.878","0.006","2674.1","1.1","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H44 F6 N5 O8 S2 Yb -","- C53 H44 F6 N5 O8 S2 Yb -","- C106 H88 F12 N10 O16 S4 Yb2 -","2","1","","Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun","Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series","New J. Chem.","2015","39","11","8650","","10.1039/C5NJ01724F","","","0.71073","MoKα","","0.1414","0.0736","","","0.1535","0.1895","","","","","","0.931","","","","has coordinates,has disorder","171319","2020-10-21","18:00:00",""
"7055085","13.001","0.003","14.9878","0.0017","15.6387","0.0019","117.175","0.002","95.878","0.003","92.955","0.003","2680","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H45 Dy F6 N5 O8.5 S2 -","- C53 H45 Dy F6 N5 O8.5 S2 -","- C106 H90 Dy2 F12 N10 O17 S4 -","2","1","","Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun","Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series","New J. Chem.","2015","39","11","8650","","10.1039/C5NJ01724F","","","0.71073","MoKα","","0.0453","0.0378","","","0.0986","0.1048","","","","","","1.051","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7055086","13.0712","0.0013","15.13","0.0007","15.7825","0.0007","118.258","0.003","97.533","0.004","91.684","0.004","2710.6","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 F6 N5 O9 S2 Tb -","- C54 H48 F6 N5 O9 S2 Tb -","- C108 H96 F12 N10 O18 S4 Tb2 -","2","1","","Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun","Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series","New J. Chem.","2015","39","11","8650","","10.1039/C5NJ01724F","","","0.71073","MoKα","","0.0914","0.0677","","","0.1626","0.1788","","","","","","1.0612","","","","has coordinates,has disorder","171319","2020-10-21","18:00:00",""
"7055087","13.023","0.004","15.037","0.004","15.687","0.004","117.673","0.004","96.46","0.02","92.48","0.02","2687.3","1.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 F6 Ho N5 O9 S2 -","- C54 H48 F6 Ho N5 O9 S2 -","- C108 H96 F12 Ho2 N10 O18 S4 -","2","1","","Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun","Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series","New J. Chem.","2015","39","11","8650","","10.1039/C5NJ01724F","","","0.71073","MoKα","","0.0361","0.0296","","","0.0773","0.0804","","","","","","1.07","","","","has coordinates,has disorder","171319","2020-10-21","18:00:00",""
"7055088","23.177","0.005","8.5606","0.0017","23.924","0.005","90","","90","","90","","4746.7","1.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N4 O4 S2 -","- C24 H24 N4 O4 S2 -","- C192 H192 N32 O32 S16 -","8","1","","Das, Sangita; Goswami, Shyamaprosad; Aich, Krishnendu; Ghoshal, Kakali; Quah, Ching Kheng; Bhattacharyya, Maitree; Fun, Hoong-Kun","ESIPT and CHEF based highly sensitive and selective ratiometric sensor for Al3+with imaging in human blood cells","New J. Chem.","2015","39","11","8582","","10.1039/C5NJ01468A","","","0.71073","MoKα","","0.1569","0.0623","","","0.1553","0.2121","","","","","","0.962","","","","has coordinates","171316","2020-10-21","18:00:00",""
"7055089","10.107","0.003","11.058","0.003","12.667","0.003","71.325","0.004","71.161","0.004","78.62","0.004","1262.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 6'-amino-5-bromo-5'-cyano-2-oxo-1'-phenyl-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-3'-carboxylate","","- C25 H20 Br N5 O5 -","- C25 H20 Br N5 O5 -","- C50 H40 Br2 N10 O10 -","2","1","","Karnakar, K.; Ramesh, K.; Reddy, K. Harsha Vardhan; Anil Kumar, B. S. P.; Nanubonula, Jagadeesh Babu; Nageswar, Y. V. D.","A novel one pot four-component reaction for the efficient synthesis of spiro[indoline-3,4′-pyrano[2,3-c]pyrazole]-3′-carboxylate and trifluoromethylated spiro[indole-3,4′-pyrano[2,3-c]pyrazole] derivatives using recyclable PEG-400","New J. Chem.","2015","39","11","8978","","10.1039/C5NJ01448D","","","0.71073","MoKα","","0.0745","0.0468","","","0.1258","0.1409","","","","","","1.028","","","","has coordinates,has disorder","171313","2020-10-21","18:00:00",""
"7055090","11.1658","0.0005","11.1797","0.0005","13.1399","0.0006","67.863","0.001","65.724","0.001","67.08","0.001","1330.51","0.1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H32 Br2 Cl6 Mo2 N8 O6 S4 -","- C42 H32 Br2 Cl6 Mo2 N8 O6 S4 -","- C42 H32 Br2 Cl6 Mo2 N8 O6 S4 -","1","0.5","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Mitra, Payel; Acharya, Krishnendu; Biswas, Sujan; Mondal, Tapan Kumar","Supramolecular frameworks of binuclear dioxomolybdenum(vi) complexes with ONS donor ligands using 4,4′-azopyridine as a pillar: crystal structure, DFT calculations and biological study","New J. Chem.","2015","39","11","8681","","10.1039/C5NJ01899D","","","0.71073","MoKα","","0.0634","0.0416","","","0.1037","0.1219","","","","","","0.882","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055091","10.827","0.018","11.07","0.018","12.58","0.02","65.78","0.017","73.533","0.017","65.932","0.017","1243","4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H34 Cl6 Mo2 N8 O6 S4 -","- C42 H34 Cl6 Mo2 N8 O6 S4 -","- C42 H34 Cl6 Mo2 N8 O6 S4 -","1","0.5","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Mitra, Payel; Acharya, Krishnendu; Biswas, Sujan; Mondal, Tapan Kumar","Supramolecular frameworks of binuclear dioxomolybdenum(vi) complexes with ONS donor ligands using 4,4′-azopyridine as a pillar: crystal structure, DFT calculations and biological study","New J. Chem.","2015","39","11","8681","","10.1039/C5NJ01899D","","","0.71073","MoKα","","0.1394","0.0838","","","0.2067","0.242","","","","","","0.943","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055092","10.9255","0.0007","10.9637","0.0007","13.2353","0.0008","67.269","0.006","69.255","0.005","67.937","0.006","1314","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cl6 Mo2 N10 O10 S4 -","- C42 H32 Cl6 Mo2 N10 O10 S4 -","- C42 H32 Cl6 Mo2 N10 O10 S4 -","1","0.5","","Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Mitra, Payel; Acharya, Krishnendu; Biswas, Sujan; Mondal, Tapan Kumar","Supramolecular frameworks of binuclear dioxomolybdenum(vi) complexes with ONS donor ligands using 4,4′-azopyridine as a pillar: crystal structure, DFT calculations and biological study","New J. Chem.","2015","39","11","8681","","10.1039/C5NJ01899D","","","0.71073","MoKα","","0.0822","0.059","","","0.1243","0.1387","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055093","8.89","0.0002","10.3346","0.0002","11.2245","0.0002","115.313","0.001","95.614","0.001","93.303","0.001","922.08","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N5 O5 S -","- C17 H19 N5 O5 S -","- C34 H38 N10 O10 S2 -","2","1","","Patel, Tarosh S.; Vanparia, Satish F.; Gandhi, Sahaj A.; Patel, Urmila H.; Dixit, Ritu B.; Chudasama, Chaitanya J.; Dixit, Bharat C.","Novel stereoselective 2,3-disubstituted quinazoline-4(3H)-one derivatives derived from glycine as a potent antimalarial lead","New J. Chem.","2015","39","11","8638","","10.1039/C5NJ01408E","","","0.71073","MoKα","","0.0523","0.0469","","","0.1361","0.1432","","","","","","1.044","","","","has coordinates","171317","2020-10-21","18:00:00",""
"7055094","7.774","0.002","4.6585","0.0011","10.254","0.003","90","","109.516","0.015","90","","350.02","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- F2 Mg5 O8 Si2 -","- F2 Mg5 O8 Si2 -","- F4 Mg10 O16 Si4 -","2","0.5","","Zhen, Ni; Wu, Kui; Li, Qiang; Pan, Shilie; Gao, Wenhui; Yang, Zhihua","Synthesis, structures, and properties of two magnesium silicate fluorides Mg5(SiO4)2F2and Mg3SiO4F2","New J. Chem.","2015","39","11","8866","","10.1039/C5NJ01911G","","","0.71073","MoKα","","0.0729","0.0671","","","0.1935","0.1981","","","","","","1.181","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055095","10.268","0.007","8.694","0.006","4.65","0.003","90","","90","","90","","415.1","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2 Mg3 O4 Si -","- F2 Mg3 O4 Si -","- F8 Mg12 O16 Si4 -","4","0.5","","Zhen, Ni; Wu, Kui; Li, Qiang; Pan, Shilie; Gao, Wenhui; Yang, Zhihua","Synthesis, structures, and properties of two magnesium silicate fluorides Mg5(SiO4)2F2and Mg3SiO4F2","New J. Chem.","2015","39","11","8866","","10.1039/C5NJ01911G","","","0.71073","MoKα","","0.0713","0.0643","","","0.1869","0.1929","","","","","","1.156","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055097","9.6261","0.0003","10.9469","0.0003","14.6288","0.0004","72.336","0.003","89.163","0.003","65.679","0.002","1327.63","0.08","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl2 N5 O2 P3 -","- C24 H26 Cl2 N5 O2 P3 -","- C48 H52 Cl4 N10 O4 P6 -","2","1","","Başterzi, Nisan Sevin; Bilge Koçak, Selen; Okumuş, Aytuğ; Kılıç, Zeynel; Hökelek, Tuncer; Çelik, Ömer; Türk, Mustafa; Koç, L. Yasemin; Açık, Leyla; Aydın, Betül","Syntheses, structural characterization and biological activities of spiro-ansa-spiro-cyclotriphosphazenes","New J. Chem.","2015","39","11","8825","","10.1039/C5NJ01530H","","","0.71073","MoKα","","0.0634","0.0443","","","0.1187","0.1297","","","","","","1.036","","","","has coordinates","171320","2020-10-21","18:00:00",""
"7055098","7.136","0.0013","9.7606","0.0013","13.6208","0.0012","70.976","0.01","78.653","0.012","71.791","0.015","847.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O -","- C19 H23 N3 O -","- C38 H46 N6 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","0.7107","MoKα","","0.0784","0.0596","","","0.1378","0.1594","","","","","","1.034","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055099","10.2724","0.0004","10.5468","0.0004","10.7163","0.0004","68.395","0.004","71.217","0.004","69.263","0.004","984.7","0.07","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C52 H40 N4 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","0.71073","MoKα","","0.0445","0.0372","","","0.0917","0.0964","","","","","","1.018","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055100","8.8129","0.0004","9.0613","0.0005","16.1691","0.0007","92.583","0.004","92.986","0.004","104.621","0.004","1245.43","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Br N3 O -","- C32 H24 Br N3 O -","- C64 H48 Br2 N6 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","1.5418","CuKα","","0.0433","0.0346","","","0.0835","0.0895","","","","","","1.032","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055101","6.1591","0.0005","12.0853","0.001","12.7889","0.0009","101.637","0.006","93.38","0.006","92.887","0.007","928.86","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 N3 O -","- C23 H23 N3 O -","- C46 H46 N6 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","0.7107","MoKα","","0.072","0.0585","","","0.1566","0.1728","","","","","","1.07","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055102","22.9818","0.0013","8.6205","0.0003","23.3388","0.001","90","","114.188","0.006","90","","4217.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C216 H184 N24 O8 -","8","2","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","0.71073","MoKα","","0.1129","0.0912","","","0.215","0.226","","","","","","1.115","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055103","9.1527","0.0008","10.0852","0.0007","10.4387","0.0009","90","","110.242","0.01","90","","904.05","0.14","100.01","0.1","100","0.02","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C44 H42 N6 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","1.5418","CuKα","","0.0513","0.0399","","","0.0919","0.0994","","","","","","1.012","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055104","9.5535","0.0003","6.1044","0.0003","26.1423","0.001","90","","97.15","0.003","90","","1512.72","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","0.71073","MoKα","","0.0652","0.0485","","","0.1158","0.1247","","","","","","1.054","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055105","17.0999","0.0002","8.90736","0.0001","15.9119","0.0002","90","","90","","90","","2423.62","0.05","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H25 N3 O -","- C32 H25 N3 O -","- C128 H100 N12 O4 -","4","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","1.54184","CuKα","","0.0274","0.0268","","","0.067","0.0677","","","","","","1.042","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055106","10.5963","0.0006","10.8613","0.0005","13.9872","0.0006","83.343","0.004","69.786","0.005","61.16","0.005","1320.75","0.14","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Br N3 O -","- C32 H24 Br N3 O -","- C64 H48 Br2 N6 O2 -","2","1","","Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.","Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations","New J. Chem.","2015","39","12","9330","","10.1039/C5NJ02061A","","","1.54184","CuKα","","0.05","0.0466","","","0.1334","0.1386","","","","","","1.03","","","","has coordinates","171304","2020-10-21","18:00:00",""
"7055107","9.735","0.003","11.144","0.003","12.745","0.004","90","","90","","90","","1382.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Indozolidinoindolones","(5S,11bR)-5-(hydroxymethyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Bathula, Chandramohan; Dangi, Poonam; Hati, Santanu; Agarwal, Rahul; Munshi, Parthapratim; Singh, Ashutosh; Singh, Shailja; Sen, Subhabrata","Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategies","New J. Chem.","2015","39","12","9281","","10.1039/C5NJ01858G","","","0.71073","MoKα","","0.0458","0.0352","","","0.0804","0.0862","","","","","","1.065","","","","has coordinates","171298","2020-10-21","18:00:00",""
"7055108","9.821","0.008","11.174","0.008","12.954","0.01","90","","90","","90","","1421.6","1.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","indozolidinoindolones","(5R,11bS)-5-(hydroxymethyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Bathula, Chandramohan; Dangi, Poonam; Hati, Santanu; Agarwal, Rahul; Munshi, Parthapratim; Singh, Ashutosh; Singh, Shailja; Sen, Subhabrata","Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategies","New J. Chem.","2015","39","12","9281","","10.1039/C5NJ01858G","","","0.71073","MoKα","","0.0598","0.0423","","","0.0925","0.1024","","","","","","1.055","","","","has coordinates","171298","2020-10-21","18:00:00",""
"7055109","7.289","0.003","11.525","0.004","14.616","0.005","90","","91.587","0.019","90","","1227.4","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","spiroindolopyrrolizinones","(1'R,7a'S)-7a'-methyl-2',3',7',7a'-tetrahydrospiro[indoline-3,1'-pyrrolizine]-2,5'(6'H)-dione","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Bathula, Chandramohan; Dangi, Poonam; Hati, Santanu; Agarwal, Rahul; Munshi, Parthapratim; Singh, Ashutosh; Singh, Shailja; Sen, Subhabrata","Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategies","New J. Chem.","2015","39","12","9281","","10.1039/C5NJ01858G","","","0.71073","MoKα","","0.2204","0.1267","","","0.3225","0.4145","","","","","","1.131","","","","has coordinates","171298","2020-10-21","18:00:00",""
"7055110","13.677","0.007","16.455","0.008","19.539","0.008","70.956","0.018","76.3","0.02","87.68","0.02","4035","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","AzPy2HBF4","AzPy2H_BF4","","- C100.5 H71.5 B3 F12 N6 O1.83 -","- C100.5 H71.5 B3 F12 N6 O1.828 -","- C201 H143 B6 F24 N12 O3.656 -","2","1","","Ninomiya, Kazuki; Harada, Yumi; Kanetou, Tomoaki; Suenaga, Yuma; Murafuji, Toshihiro; Tsunashima, Ryo","Synthesis and acid‒base properties of a proton-bridged biaryl compound based on pyridylazulene","New J. Chem.","2015","39","12","9079","","10.1039/C5NJ01651G","","","0.7107","MoKα","","0.1586","0.1034","","","0.2693","0.3137","","","","","","1.314","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7055113","8.1682","0.0011","10.1121","0.0012","12.2265","0.0015","106.817","0.005","96.61","0.005","94.955","0.005","952.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(2-methoxyphenyl)-2-(2,3,4,4a-tetrahydro-1H-xanthen-1-ylidene)hydrazinecarbothioamide","","- C21 H21 N3 O2 S -","- C21 H21 N3 O2 S -","- C42 H42 N6 O4 S2 -","2","1","","Hameed, Aminah; Shafiq, Zahid; Yaqub, Muhammad; Hussain, Mazhar; Hussain, Muhammad Ajaz; Afzal, Muhammad; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam","Me3N-promoted synthesis of 2,3,4,4a-tetrahydroxanthen-1-one: preparation of thiosemicarbazone derivatives, their solid state self-assembly and antimicrobial properties","New J. Chem.","2015","39","12","9351","","10.1039/C5NJ01879J","","","0.71073","MoKα","","0.123","0.0641","","","0.171","0.2036","","","","","","1.038","","","","has coordinates","171305","2020-10-21","18:00:00",""
"7055114","9.6988","0.001","9.8693","0.0009","10.7502","0.0012","101.697","0.006","101.627","0.006","101.57","0.006","955.19","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(2E)-N-(2,4-dichlorophenyl)-2-(2,3,4,4a-tetrahydro-1H-xanthen-1-ylidene)hydrazinecarbothioamide","","- C20 H17 Cl2 N3 O S -","- C20 H17 Cl2 N3 O S -","- C40 H34 Cl4 N6 O2 S2 -","2","1","","Hameed, Aminah; Shafiq, Zahid; Yaqub, Muhammad; Hussain, Mazhar; Hussain, Muhammad Ajaz; Afzal, Muhammad; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam","Me3N-promoted synthesis of 2,3,4,4a-tetrahydroxanthen-1-one: preparation of thiosemicarbazone derivatives, their solid state self-assembly and antimicrobial properties","New J. Chem.","2015","39","12","9351","","10.1039/C5NJ01879J","","","0.71073","MoKα","","0.0806","0.0606","","","0.1567","0.1708","","","","","","1.081","","","","has coordinates,has disorder","171305","2020-10-21","18:00:00",""
"7055115","25.8681","0.0018","19.8556","0.0018","16.277","0.0013","90","","101.368","0.002","90","","8196.3","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H108 Cl6 Cu N14 O9 -","- C70 H108 Cl6 Cu N14 O9 -","- C280 H432 Cl24 Cu4 N56 O36 -","4","0.5","","Li, Jie; Xi, Teng; Yan, Biao; Guan, Yulei; Yang, Mingyan; Song, Jirong; Ma, Haixia","Synergistic actions between tebuconazole ligand and Cu(ii) cation: reasons for the enhanced antifungal activity of four Cu(ii) complexes based on the fungicide tebuconazole","New J. Chem.","2015","39","12","9550","","10.1039/C5NJ01845E","","","0.71073","MoKα","","0.1428","0.0717","","","0.1472","0.1822","","","","","","1.242","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055116","8.643","0.003","21.583","0.008","11.46","0.004","90","","107.229","0.007","90","","2041.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Cl2 Cu N6 O6 -","- C36 H50 Cl2 Cu N6 O6 -","- C72 H100 Cl4 Cu2 N12 O12 -","2","0.5","","Li, Jie; Xi, Teng; Yan, Biao; Guan, Yulei; Yang, Mingyan; Song, Jirong; Ma, Haixia","Synergistic actions between tebuconazole ligand and Cu(ii) cation: reasons for the enhanced antifungal activity of four Cu(ii) complexes based on the fungicide tebuconazole","New J. Chem.","2015","39","12","9550","","10.1039/C5NJ01845E","","","0.71073","MoKα","","0.1162","0.0635","","","0.1545","0.1962","","","","","","0.965","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055117","30.652","0.005","8.83","0.0015","30.761","0.005","90","","108.628","0.003","90","","7890","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H51 Cl2 Cu N7 O7 S -","- C35 H51 Cl2 Cu N7 O7 S -","- C280 H408 Cl16 Cu8 N56 O56 S8 -","8","1","","Li, Jie; Xi, Teng; Yan, Biao; Guan, Yulei; Yang, Mingyan; Song, Jirong; Ma, Haixia","Synergistic actions between tebuconazole ligand and Cu(ii) cation: reasons for the enhanced antifungal activity of four Cu(ii) complexes based on the fungicide tebuconazole","New J. Chem.","2015","39","12","9550","","10.1039/C5NJ01845E","","","0.71073","MoKα","","0.1212","0.0612","","","0.1536","0.2001","","","","","","0.975","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055118","9.713","0.002","13.623","0.003","15.213","0.003","65.309","0.002","84.32","0.002","79.878","0.002","1799.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H88 Cl6 Cu N12 O12 -","- C64 H88 Cl6 Cu N12 O12 -","- C64 H88 Cl6 Cu N12 O12 -","1","0.5","","Li, Jie; Xi, Teng; Yan, Biao; Guan, Yulei; Yang, Mingyan; Song, Jirong; Ma, Haixia","Synergistic actions between tebuconazole ligand and Cu(ii) cation: reasons for the enhanced antifungal activity of four Cu(ii) complexes based on the fungicide tebuconazole","New J. Chem.","2015","39","12","9550","","10.1039/C5NJ01845E","","","0.71073","MoKα","","0.07","0.0527","","","0.1462","0.1614","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055119","14.574","0.0007","23.5585","0.0011","15.4557","0.0007","90","","110.801","0.003","90","","4960.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn2(L)(oba)2?2DMF?2H2O","","- C52 H48 N6 O16 Zn2 -","- C49 H37 N5 O13 Zn2 -","- C196 H148 N20 O52 Zn8 -","4","1","","Lin, Rong-Guang; Cao, Gao-Juan; Lin, Jian-Di; Wang, Yu-Lin","A novel 3-fold interpenetration metal‒organic framework with tunable luminescence and selective adsorption of CO2properties","New J. Chem.","2015","39","12","9075","","10.1039/C5NJ01639H","","","0.71073","MoKα","","0.0687","0.0474","","","0.1164","0.1262","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055120","10.998","0.002","6.197","0.0012","21.583","0.004","90","","103.25","0.03","90","","1431.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br O3 -","- C16 H15 Br O3 -","- C64 H60 Br4 O12 -","4","1","","Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu","Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives","New J. Chem.","2015","39","12","9611","","10.1039/C5NJ01484K","","","0.71073","MoKα","","0.061","0.0323","","","0.0686","0.0771","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055121","10.439","0.003","5.0804","0.0019","11.712","0.004","90","","99.816","0.014","90","","612","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O4 -","- C15 H12 O4 -","- C30 H24 O8 -","2","1","","Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu","Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives","New J. Chem.","2015","39","12","9611","","10.1039/C5NJ01484K","","","0.71073","MoKα","","0.1322","0.0693","","","0.1622","0.1963","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055122","14.1031","0.0012","10.4382","0.0009","17.8607","0.0013","90","","90","","90","","2629.3","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C120 H112 O40 -","8","1","","Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu","Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives","New J. Chem.","2015","39","12","9611","","10.1039/C5NJ01484K","","","0.71073","MoKα","","0.0651","0.0388","","","0.0925","0.1074","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055123","7.3939","0.0004","19.7414","0.0011","8.5702","0.0004","90","","95.998","0.002","90","","1244.11","0.11","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu","Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives","New J. Chem.","2015","39","12","9611","","10.1039/C5NJ01484K","","","0.71073","MoKα","","0.0549","0.0424","","","0.1257","0.1364","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055124","16.5569","0.0008","7.4472","0.0004","12.9479","0.0007","90","","99.196","0.002","90","","1575.99","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O4 -","- C18 H14 N2 O5 -","- C72 H56 N8 O20 -","4","1","","Mukherjee, Prasun; Paul, Sanjay; Das, Asish R.","Expeditious synthesis of functionalized tricyclic 4-spiro pyrano[2,3-c]pyrazoles in aqueous medium using dodecylbenzenesulphonic acid as a Brønsted acid‒surfactant-combined catalyst","New J. Chem.","2015","39","12","9480","","10.1039/C5NJ01728A","","","0.71073","MoKα","","0.0522","0.0409","","","0.1083","0.1161","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055125","11.332","0.002","9.1756","0.0016","17.706","0.003","90","","104.54","0.006","90","","1782.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O5 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Mukherjee, Prasun; Paul, Sanjay; Das, Asish R.","Expeditious synthesis of functionalized tricyclic 4-spiro pyrano[2,3-c]pyrazoles in aqueous medium using dodecylbenzenesulphonic acid as a Brønsted acid‒surfactant-combined catalyst","New J. Chem.","2015","39","12","9480","","10.1039/C5NJ01728A","","","0.71073","MoKα","","0.0552","0.0419","","","0.1104","0.1206","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055126","8.6306","0.0009","10.7523","0.0012","11.2579","0.0013","98.521","0.005","97.359","0.005","107.517","0.004","968.62","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C48 H38 N6 O6 -","2","1","","Mukherjee, Prasun; Paul, Sanjay; Das, Asish R.","Expeditious synthesis of functionalized tricyclic 4-spiro pyrano[2,3-c]pyrazoles in aqueous medium using dodecylbenzenesulphonic acid as a Brønsted acid‒surfactant-combined catalyst","New J. Chem.","2015","39","12","9480","","10.1039/C5NJ01728A","","","0.71073","MoKα","","0.1346","0.1194","","","0.4014","0.4097","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055127","7.817","0.0008","9.4031","0.001","16.4402","0.0017","73.821","0.003","81.557","0.003","69.541","0.003","1085.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C52 H48 N4 O8 -","2","1","","Mukherjee, Prasun; Paul, Sanjay; Das, Asish R.","Expeditious synthesis of functionalized tricyclic 4-spiro pyrano[2,3-c]pyrazoles in aqueous medium using dodecylbenzenesulphonic acid as a Brønsted acid‒surfactant-combined catalyst","New J. Chem.","2015","39","12","9480","","10.1039/C5NJ01728A","","","0.71073","MoKα","","0.0616","0.0432","","","0.0974","0.1066","","","","","","1.046","","","","has coordinates","171303","2020-10-21","18:00:00",""
"7055128","19.852","0.002","6.7979","0.0006","19.7407","0.0017","90","","100.635","0.004","90","","2618.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 N2 S4 Sn -","- C20 H38 N2 S4 Sn -","- C80 H152 N8 S16 Sn4 -","4","0.5","","Khan, Malik Dilshad; Akhtar, Javeed; Malik, Mohammad Azad; Akhtar, Masood; Revaprasadu, Neerish","Phase-pure fabrication and shape evolution studies of SnS nanosheets","New J. Chem.","2015","39","12","9569","","10.1039/C5NJ01919B","","","1.54178","CuKα","","0.0252","0.0236","","","0.0581","0.0591","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055129","7.9316","0.0011","8.4597","0.0012","14.947","0.002","90.946","0.002","101.791","0.002","109.574","0.001","921.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H6 Fe2 O7 S2 -","- C17 H6 Fe2 O7 S2 -","- C34 H12 Fe4 O14 S4 -","2","1","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.0391","0.0342","","","0.1027","0.1059","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055130","7.71","0.003","11.306","0.004","15.523","0.005","110.397","0.004","91.963","0.004","107.447","0.004","1195.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H13 Br Cl0 Fe2 O8 S2 -","- C21 H13 Br Fe2 O8 S2 -","- C42 H26 Br2 Fe4 O16 S4 -","2","1","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.0667","0.0485","","","0.1318","0.1402","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055131","8.0499","0.001","8.5617","0.0011","14.8223","0.0018","91.11","0.002","102.731","0.001","109.146","0.001","936.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H8 Fe2 O7 S2 -","- C17 H8 Fe2 O7 S2 -","- C34 H16 Fe4 O14 S4 -","2","1","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.0407","0.0308","","","0.0859","0.0909","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055132","7.9363","0.0012","34.734","0.005","17.444","0.003","90","","94.006","0.002","90","","4796.9","1.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H13 Cl Fe2 O8 S2 -","- C21 H13 Cl Fe2 O8 S2 -","- C168 H104 Cl8 Fe16 O64 S16 -","8","4","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.0427","0.036","","","0.0882","0.0911","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055133","7.653","0.008","14.654","0.015","14.902","0.015","68.932","0.011","78.682","0.011","84.567","0.012","1529","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H18 Cl2 Fe3 O8 S2 -","- C29 H18 Cl2 Fe3 O8 S2 -","- C58 H36 Cl4 Fe6 O16 S4 -","2","1","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.044","0.0373","","","0.0976","0.1029","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055134","7.556","0.005","9.504","0.007","14.246","0.01","86.686","0.008","79.551","0.008","66.911","0.008","925.4","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H6 Fe2 O7 S2 -","- C17 H6 Fe2 O7 S2 -","- C34 H12 Fe4 O14 S4 -","2","1","","Qian, Guifen; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Xiao, Zhiyin; Long, Li; Liu, Xiaoming","Diiron hexacarbonyl complexes bearing naphthalene-1,8-dithiolate bridge moiety as mimics of the sub-unit of [FeFe]-hydrogenase: synthesis, characterisation and electrochemical investigations","New J. Chem.","2015","39","12","9752","","10.1039/C5NJ02074C","","","0.71073","MoKα","","0.0335","0.0263","","","0.0693","0.0725","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055135","10.3845","0.0009","10.3845","0.0009","6.4739","0.0008","90","","90","","120","","604.6","0.11","298","2","298","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- B3 Li O9 Sr Tb2 -","- B3 Li O9 Sr Tb2 -","- B9 Li3 O27 Sr3 Tb6 -","3","0.25","","Chen, Pengyun; Xia, Mingjun; Li, R. K.","A terbium rich orthoborate LiSrTb2(BO3)3and its analogues","New J. Chem.","2015","39","12","9389","","10.1039/C5NJ01913C","","","0.71073","MoKα","","0.0378","0.0311","","","0.0704","0.0732","","","","","","1.147","","","","has coordinates","171295","2020-10-21","18:00:00",""
"7055136","8.3278","0.0004","17.6372","0.0008","12.0862","0.0005","90","","93.553","0.003","90","","1771.8","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 P -","- C23 H21 P -","- C92 H84 P4 -","4","1","","Purdavaie, Kourosh; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis and structure of a new phosphonium-1-indenylide (PHIN) ligand, 4,7-dimethyl-1-C9H4PMePh2, and of new PHIN complexes of rhodium and iridium","New J. Chem.","2015","39","12","9429","","10.1039/C5NJ01756D","","","0.71073","MoKα","","0.0614","0.0429","","","0.0973","0.1077","","","","","","1.041","","","","has coordinates","171308","2020-10-21","18:00:00",""
"7055137","16.6549","0.0002","11.2323","0.0001","20.2304","0.0002","90","","96.4639","0.0004","90","","3760.5","0.07","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 P -","- C24 H23 P -","- C192 H184 P8 -","8","1","","Purdavaie, Kourosh; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis and structure of a new phosphonium-1-indenylide (PHIN) ligand, 4,7-dimethyl-1-C9H4PMePh2, and of new PHIN complexes of rhodium and iridium","New J. Chem.","2015","39","12","9429","","10.1039/C5NJ01756D","","","0.71073","MoKα","","0.0371","0.0341","","","0.0934","0.0968","","","","","","1.024","","","","has coordinates","171308","2020-10-21","18:00:00",""
"7055138","9.7473","0.0009","17.3697","0.0015","18.2266","0.0018","90","","90","","90","","3085.9","0.5","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C26 H22 Co N10 Na O6 S4 -","- C26 H22 Co N10 Na O6 S4 -","- C104 H88 Co4 N40 Na4 O24 S16 -","4","0.5","","Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev","Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications","New J. Chem.","2015","39","12","9772","","10.1039/C5NJ01223F","","","0.71073","MoKα","","0.1101","0.0657","","","0.1129","0.1274","","","","","","1.082","","","","has coordinates,has disorder","171302","2020-10-21","18:00:00",""
"7055139","9.488","0.006","12.563","0.008","16.137","0.009","70.636","0.003","86.729","0.003","89.399","0.002","1811.7","1.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H26 Cd Cl Co N10 O9 S4 -","- C27 H26 Cd Cl Co N10 O9 S4 -","- C54 H52 Cd2 Cl2 Co2 N20 O18 S8 -","2","1","","Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev","Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications","New J. Chem.","2015","39","12","9772","","10.1039/C5NJ01223F","","","0.71069","MoKα","","0.0499","0.0426","","","0.116","0.1201","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055140","43.8659","0.0011","43.8659","0.0011","9.541","0.0003","90","","90","","120","","15899.3","0.8","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C26 H22 Cl Co Hg N10 O4 S4 -","- C26 H22.315 Cl Co Hg N10 O4 S4 -","- C468 H401.67 Cl18 Co18 Hg18 N180 O72 S72 -","18","1","","Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev","Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications","New J. Chem.","2015","39","12","9772","","10.1039/C5NJ01223F","","","0.71073","MoKα","","0.0917","0.0513","","","0.1304","0.1401","","","","","","0.91","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055141","16.106","0.005","29.674","0.003","16.658","0.004","90","","90.38","0.005","90","","7961","3","295","2","295","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C26 H22 Cl Co N10 O10 S4 Zn -","- C26 H22 Cl Co N10 O10 S4 Zn -","- C208 H176 Cl8 Co8 N80 O80 S32 Zn8 -","8","1","","Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev","Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications","New J. Chem.","2015","39","12","9772","","10.1039/C5NJ01223F","","","0.71073","MoKα","","0.109","0.0716","","","0.1787","0.2021","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055142","7.8871","0.0011","11.287","0.0016","15.565","0.002","72.418","0.002","88.268","0.002","80.936","0.002","1304.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Cl2 Co N7 O3 -","- C24 H32 Cl2 Co N7 O3 -","- C48 H64 Cl4 Co2 N14 O6 -","2","1","","Adolph, Michael; Zevaco, Thomas A.; Altesleben, Christiane; Staudt, Simone; Walter, Olaf; Dinjus, Eckhard","New ionic cobalt(iii) complexes based on the N,N-bis(2-pyrazinecarboxamide)-1,2-benzene ligand: application to the formation of organic carbonates from epoxides and CO2","New J. Chem.","2015","39","12","9858","","10.1039/C5NJ02135A","","","0.71073","MoKα","","0.0402","0.0293","","","0.0645","0.0692","","","","","","1.031","","","","has coordinates","171299","2020-10-21","18:00:00",""
"7055143","8.0125","0.0004","11.3","0.0006","15.6292","0.0008","73.057","0.001","88.933","0.001","81.351","0.001","1337.8","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Br2 Co N7 O3 -","- C24 H32 Br2 Co N7 O3 -","- C48 H64 Br4 Co2 N14 O6 -","2","1","","Adolph, Michael; Zevaco, Thomas A.; Altesleben, Christiane; Staudt, Simone; Walter, Olaf; Dinjus, Eckhard","New ionic cobalt(iii) complexes based on the N,N-bis(2-pyrazinecarboxamide)-1,2-benzene ligand: application to the formation of organic carbonates from epoxides and CO2","New J. Chem.","2015","39","12","9858","","10.1039/C5NJ02135A","","","0.71073","MoKα","","0.0339","0.0255","","","0.0579","0.0611","","","","","","1.025","","","","has coordinates","171299","2020-10-21","18:00:00",""
"7055157","23.731","0.005","8.3394","0.0015","13.706","0.002","90","","106.707","0.012","90","","2597.9","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C120 H96 F24 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.0522","0.0403","","","0.0854","0.0897","","","","","","1.063","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7055207","14.708","0.003","15.429","0.003","23.084","0.004","84.282","0.003","82.619","0.003","86.756","0.003","5164.1","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H57 N Nd4 O32 -","- C87 H57 N Nd4 O32 -","- C174 H114 N2 Nd8 O64 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0611","0.0403","","","0.0784","0.0843","","","","","","1.004","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055208","14.604","0.003","15.309","0.003","22.87","0.005","84.603","0.003","83.64","0.003","86.655","0.003","5053.2","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H57 N O32 Sm4 -","- C87 H57 N O32 Sm4 -","- C174 H114 N2 O64 Sm8 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0942","0.0527","","","0.099","0.1092","","","","","","0.992","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055209","14.589","0.002","15.285","0.002","22.758","0.003","84.679","0.003","84.323","0.003","86.396","0.003","5020.8","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H57 Eu4 N O32 -","- C87 H57 Eu4 N O32 -","- C174 H114 Eu8 N2 O64 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.1139","0.0652","","","0.1146","0.1246","","","","","","0.986","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055210","14.626","0.007","15.297","0.007","23.009","0.01","84.817","0.006","83.605","0.006","86.488","0.006","5088","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H57 Gd4 N O32 -","- C87 H57 Gd4 N O32 -","- C174 H114 Gd8 N2 O64 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0759","0.0475","","","0.0896","0.0977","","","","","","0.983","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055211","15.089","0.006","15.275","0.006","23.654","0.01","85.902","0.007","81.506","0.007","86.813","0.008","5373","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H52 N O32 Tb4 -","- C84 H52 O32 Tb4 -","- C168 H104 O64 Tb8 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.109","0.0752","","","0.1473","0.1616","","","","","","1.017","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055212","15.189","0.003","15.232","0.002","23.855","0.004","85.89","0.003","79.971","0.003","86.842","0.003","5415.7","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H52 Dy4 N O32 -","- C84 H52 Dy4 O32 -","- C168 H104 Dy8 O64 -","2","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0919","0.0562","","","0.1112","0.1221","","","","","","1.005","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055213","15.9451","0.0014","28.148","0.003","23.416","0.002","90","","107.837","0.002","90","","10004.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C87 H59 N O33 Tb4 -","- C87 H59 N O33 Tb4 -","- C348 H236 N4 O132 Tb16 -","4","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0494","0.0348","","","0.0672","0.0705","","","","","","1.066","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7055214","15.97","0.004","28.166","0.007","23.583","0.006","90","","108.092","0.003","90","","10083","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C87 H59 Dy4 N O33 -","- C87 H59 Dy4 N O33 -","- C348 H236 Dy16 N4 O132 -","4","1","","Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties","New J. Chem.","2015","39","12","9872","","10.1039/C5NJ01930C","","","0.71073","MoKα","","0.0686","0.0476","","","0.1017","0.1089","","","","","","1.09","","","","has coordinates","170884","2020-10-21","18:00:00",""
"7059087","9.2691","0.0012","9.3354","0.0013","18.669","0.003","90","","98.925","0.012","90","","1595.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Co3 N10 O10 -","- C26 H24 Co3 N10 O10 -","- C52 H48 Co6 N20 O20 -","2","0.5","","Chen, Xi; Li, Zhao; Wei, Rong-jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Template controlled synthesis of cluster-based porous coordination polymers: crystal structure, magnetism and adsorption","New Journal of Chemistry","2015","39","9","7333","","10.1039/C5NJ01417D","","","0.71073","MoKα","","0.0699","0.0504","","","0.1121","0.1353","","","","","","1.011","","","","has coordinates","233459","2020-10-21","18:00:00",""
"7059088","17.4654","0.0018","17.4654","0.0018","19.854","0.003","90","","90","","90","","6056.3","1.3","293","2","293","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- C48 H32 Co8 N32 O17 -","- C48 H32 Co8 N32 O17 -","- C96 H64 Co16 N64 O34 -","2","0.125","","Chen, Xi; Li, Zhao; Wei, Rong-jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Template controlled synthesis of cluster-based porous coordination polymers: crystal structure, magnetism and adsorption","New Journal of Chemistry","2015","39","9","7333","","10.1039/C5NJ01417D","","","0.71073","MoKα","","0.1252","0.1072","","","0.2425","0.2581","","","","","","1.206","","","","has coordinates","233459","2020-10-21","18:00:00",""
"7059089","8.1736","0.0008","10.0387","0.001","11.0871","0.0011","90","","106.568","0.001","90","","871.95","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N5 O6 Zn -","- C5 H7 N5 O6 Zn -","- C20 H28 N20 O24 Zn4 -","4","1","","Seco, Jose M.; Calahorro, Antonio J.; Sebastian, Eider San; Salinas-Castillo, Alfonso; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Experimental and theoretical study of photoluminescence and magnetic properties of metal‒organic polymers based on squarate and tetrazolate moieties containing linkers","New Journal of Chemistry","2015","39","12","9926","","10.1039/C5NJ02474A","","","0.71069","MoKα","","0.0473","0.0383","","","0.0897","0.0946","","","","","","1.075","","","","has coordinates","233461","2020-10-21","18:00:00",""
"7059090","8.193","0.002","10.046","0.003","10.966","0.003","90","","106.514","0.004","90","","865.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Co N5 O6 -","- C5 H7 Co N5 O6 -","- C20 H28 Co4 N20 O24 -","4","1","","Seco, Jose M.; Calahorro, Antonio J.; Sebastian, Eider San; Salinas-Castillo, Alfonso; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Experimental and theoretical study of photoluminescence and magnetic properties of metal‒organic polymers based on squarate and tetrazolate moieties containing linkers","New Journal of Chemistry","2015","39","12","9926","","10.1039/C5NJ02474A","","","0.71069","MoKα","","0.0581","0.0421","","","0.0962","0.1045","","","","","","1.039","","","","has coordinates","233461","2020-10-21","18:00:00",""