# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T07:05:25+02:00
# 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 J. Chem.') AND volume = 40 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
"1543977","32.117","0.002","13.8184","0.0004","26.7619","0.0012","90","","110.83","0.006","90","","11100.8","1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H86 N2 Na6 O95 Ru2 Te2 W20 -","- C20 H36 N2 Na6 O97 Ru2 Te2 W20 -","- C80 H144 N8 Na24 O388 Ru8 Te8 W80 -","4","0.5","","Zheng, Da-Ming; Wang, Rui-Qiang; Du, Yu; Hou, Guang-Feng; Wu, Li-Xin; Bi, Li-Hua","A new organo-ruthenium substituted tungstotellurate: synthesis, structural characterization and catalytic properties","New J. Chem.","2016","40","10","8829","","10.1039/C6NJ01914E","","","0.71073","MoKα","","0.0866","0.0624","","","0.1294","0.145","","","","","","1.061","","","","has coordinates","187163","2020-10-21","18:00:00",""
"1544068","11.09","0.002","11.32","0.002","16.243","0.003","74.94","0.03","82.76","0.03","75.06","0.03","1898.7","0.7","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 N5 Nd2 O18 -","- C32 H35 N5 Nd2 O18 -","- C64 H70 N10 Nd4 O36 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","A three-dimensional Nd(iii)-based metal‒organic framework as a smart drug carrier","New J. Chem.","2016","40","11","9017","","10.1039/C6NJ02221A","","","0.71073","MoKα","","0.1055","0.0801","","","0.2135","0.2344","","","","","","1.082","","","","has coordinates,has disorder","188261","2020-10-21","18:00:00",""
"1544069","7.1366","0.0003","16.9882","0.0006","9.441","0.0004","90","","112.008","0.002","90","","1061.2","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N6 O -","- C11 H8 N6 O -","- C44 H32 N24 O4 -","4","1","","Cai, Jiawei; Li, Zhixin; Qiu, Yanxuan; OuYang, Zhijian; Lin, Wenning; Yang, Liu; Feng, Weijin; Yu, Xinwei; Dong, Wen","The syntheses, structures and azo‒hydrazone tautomeric studies of three triazole/tetrazole azo dyes","New J. Chem.","2016","40","11","9370","","10.1039/C5NJ02539G","","","0.71073","MoKα","","0.0682","0.0394","","","0.0917","0.1051","","","","","","1.017","","","","has coordinates","188270","2020-10-21","18:00:00",""
"1544070","3.7787","0.0003","15.4361","0.0013","17.0098","0.0014","90","","92.735","0.006","90","","991.02","0.14","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N5 O -","- C12 H7 N5 O -","- C48 H28 N20 O4 -","4","1","","Cai, Jiawei; Li, Zhixin; Qiu, Yanxuan; OuYang, Zhijian; Lin, Wenning; Yang, Liu; Feng, Weijin; Yu, Xinwei; Dong, Wen","The syntheses, structures and azo‒hydrazone tautomeric studies of three triazole/tetrazole azo dyes","New J. Chem.","2016","40","11","9370","","10.1039/C5NJ02539G","","","0.71073","MoKα","","0.1305","0.0505","","","0.1083","0.14","","","","","","0.986","","","","has coordinates","188270","2020-10-21","18:00:00",""
"1544071","6.734","0.004","12.536","0.006","9.12","0.005","90","","118.622","0.01","90","","675.8","0.6","173","2","173.15","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C10 H7 Ag2 Fe N7 -","- C10 H7 Ag2 Fe N7 -","- C20 H14 Ag4 Fe2 N14 -","2","0.5","","Gural'skiy, Il'ya A.; Shylin, Sergii I.; Golub, Bohdan O.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang","High temperature spin crossover in [Fe(pyrazine){Ag(CN)2}2] and its solvate","New J. Chem.","2016","40","11","9012","","10.1039/C6NJ01472K","","","0.71073","MoKα","","0.0459","0.0389","","","0.0776","0.0791","","","","","","1.044","","","","has coordinates,has disorder","188272","2020-10-21","18:00:00",""
"1544180","6.4138","0.0006","7.6858","0.0007","15.2182","0.0014","90","","99.722","0.003","90","","739.41","0.12","299","2","299.43","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C32 H36 N4 O4 S2 -","2","1","","Aillerie, Alexandre; Lemau de Talencé, Vincent; Dumont, Clément; Pellegrini, Sylvain; Capet, Frédéric; Bousquet, Till; Pélinski, Lydie","Enantioselective transfer hydrogenation, a key step for the synthesis of 3-aminotetrahydroquinolines","New J. Chem.","2016","40","11","9034","","10.1039/C6NJ02249A","","","0.71073","MoKα","","0.0422","0.0359","","","0.0863","0.0903","","","","","","1.02","","","","has coordinates","188264","2020-10-21","18:00:00",""
"1544181","9.2335","0.0005","11.214","0.0005","25.4777","0.0013","90","","90","","90","","2638.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 Fe N2 O8 -","- C26 H33 Fe N2 O8 -","- C104 H132 Fe4 N8 O32 -","4","1","","Srinivas, Palabindela; Prabhakar, Sunchu; Chevallier, Floris; Nassar, Ekhlass; Erb, William; Dorcet, Vincent; Jouikov, Viatcheslav; Radha Krishna, Palakodety; Mongin, Florence","Synthesis of ferrocene amides and esters from aminoferrocene and 2-substituted ferrocenecarboxylic acid and properties thereof","New J. Chem.","2016","40","11","9441","","10.1039/C6NJ02018F","","x-ray","0.71073","MoKα","","0.1327","0.1015","","","0.2636","0.2942","","","","","","1.037","","","","has coordinates","188265","2020-10-21","18:00:00",""
"7054917","18.6008","0.001","9.9127","0.0005","18.2252","0.0009","90","","90","","90","","3360.4","0.3","150","0.2","150","0.2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H40 N2 Na2 O27 V2 W4 -","- C8 H24 N2 Na2 O27 V2 W4 -","- C32 H96 N8 Na8 O108 V8 W16 -","4","0.5","","Abramov, Pavel A.; Peresypkina, Eugenia V.; Izarova, Natalia V.; Vicent, Cristian; Zhdanov, Artem A.; Kompankov, Nikolay B.; Gutsul, Tatiana; Sokolov, Maxim N.","Polyoxoanions assembled by the condensation of vanadate, tungstate and selenite: solution studies and crystal structures of the mixed metal derivatives (NMe4)2Na2[WVI4VV2O19]·8H2O and (NMe4)4.83[(SeIVWVI4.57VV4.43O33)2(WVI(O)(H2O))(VVO)2.6]·10.57H2O","New J. Chem.","2016","40","2","937","","10.1039/C5NJ00858A","","","0.71073","MoKα","","0.0569","0.0513","","","0.107","0.1095","","","","","","1.188","","","","has coordinates","177892","2020-10-21","18:00:00",""
"7054918","19.4257","0.0011","21.2136","0.0011","12.9194","0.0006","90","","90","","90","","5323.9","0.5","150","2","150","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C19.32 H81.1 N4.83 O81.17 Se2 V11.46 W10.14 -","- C19.32 H57.96 N4.83 O81.17 Se2 V11.46 W10.14 -","- C38.64 H115.92 N9.66 O162.34 Se4 V22.92 W20.28 -","2","0.5","","Abramov, Pavel A.; Peresypkina, Eugenia V.; Izarova, Natalia V.; Vicent, Cristian; Zhdanov, Artem A.; Kompankov, Nikolay B.; Gutsul, Tatiana; Sokolov, Maxim N.","Polyoxoanions assembled by the condensation of vanadate, tungstate and selenite: solution studies and crystal structures of the mixed metal derivatives (NMe4)2Na2[WVI4VV2O19]·8H2O and (NMe4)4.83[(SeIVWVI4.57VV4.43O33)2(WVI(O)(H2O))(VVO)2.6]·10.57H2O","New J. Chem.","2016","40","2","937","","10.1039/C5NJ00858A","","","1.54178","CuKα","","0.0693","0.0499","","","0.1306","0.1464","","","","","","1.062","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7054981","16.709","0.003","20.059","0.004","31.916","0.006","90","","90","","90","","10697","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H78 Cl Mo6 N3 O18 -","- C35 H78 Cl Mo6 N3 O18 -","- C280 H624 Cl8 Mo48 N24 O144 -","8","1","","Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Yin, Panchao; Wei, Yongge","Nucleophilic substitution reaction for rational post-functionalization of polyoxometalates","New J. Chem.","2016","40","2","906","","10.1039/C5NJ01090J","","","0.71073","MoKα","","0.0686","0.0565","","","0.1417","0.1487","","","","","","1.044","","","","has coordinates,has disorder","177884","2020-10-21","18:00:00",""
"7054982","16.882","0.003","20.088","0.004","31.929","0.006","90","","90","","90","","10828","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H78 I Mo6 N3 O18 -","- C35 H78 I Mo6 N3 O18 -","- C280 H624 I8 Mo48 N24 O144 -","8","1","","Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Yin, Panchao; Wei, Yongge","Nucleophilic substitution reaction for rational post-functionalization of polyoxometalates","New J. Chem.","2016","40","2","906","","10.1039/C5NJ01090J","","","0.71073","MoKα","","0.0883","0.0657","","","0.142","0.1528","","","","","","1.114","","","","has coordinates,has disorder","177884","2020-10-21","18:00:00",""
"7054983","16.779","0.003","20.069","0.004","31.884","0.006","90","","90","","90","","10737","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H78 Cl0.5 Mo6 N3.5 O19.5 -","- C35 H78 Cl0.5 Mo6 N3.5 O19.5 -","- C280 H624 Cl4 Mo48 N28 O156 -","8","1","","Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Yin, Panchao; Wei, Yongge","Nucleophilic substitution reaction for rational post-functionalization of polyoxometalates","New J. Chem.","2016","40","2","906","","10.1039/C5NJ01090J","","","0.71073","MoKα","","0.068","0.0583","","","0.1299","0.1343","","","","","","1.051","","","","has coordinates,has disorder","177884","2020-10-21","18:00:00",""
"7055079","7.4955","0.0011","7.5254","0.0011","12.0645","0.0017","80.285","0.002","86.767","0.002","67.729","0.002","620.7","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","ethyl (2Z)-3-[(4-bromophenyl)amino]-2-cyanoprop-2-enoate","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C24 H22 Br2 N4 O4 -","2","1","","Zhang, Zhenfeng; Ma, Nana; Xuan, Xiaopeng","An unusual CC⋯CO interaction in (Z)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates","New J. Chem.","2016","40","1","85","","10.1039/C5NJ01814E","","","0.71073","MoKα","","0.0394","0.0309","","","0.0736","0.077","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055111","9.994","0.002","10.49","0.003","16.062","0.004","103.726","0.007","94.369","0.007","98.139","0.007","1608.7","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","PhTPDC","","","- C40 H34 O6 S2 -","- C40 H34 O6 S2 -","- C80 H68 O12 S4 -","2","1","","Walton, Ian M.; Cox, Jordan M.; Benson, Cassidy A.; Patel, Dinesh (Dan) G.; Chen, Yu-Sheng; Benedict, Jason B.","The role of atropisomers on the photo-reactivity and fatigue of diarylethene-based metal‒organic frameworks","New J. Chem.","2016","40","1","101","","10.1039/C5NJ01718A","","x-ray","0.71073","MoKα","","0.1125","0.0645","","","0.1521","0.1789","","","","","","1.014","","","","has coordinates","176129","2020-10-21","18:00:00",""
"7055112","34.001","0.003","34.001","0.003","34.001","0.003","90","","90","","90","","39307","6","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UBMOF-2","","","- C12 H3 O3.25 Zn -","- C10.5 H2.25 O3.25 Zn -","- C336 H72 O104 Zn32 -","32","0.166667","","Walton, Ian M.; Cox, Jordan M.; Benson, Cassidy A.; Patel, Dinesh (Dan) G.; Chen, Yu-Sheng; Benedict, Jason B.","The role of atropisomers on the photo-reactivity and fatigue of diarylethene-based metal‒organic frameworks","New J. Chem.","2016","40","1","101","","10.1039/C5NJ01718A","","","0.71073","MoKα","","0.0956","0.0874","","","0.2643","0.2732","","","","","","1.149","","","","has coordinates","176129","2020-10-21","18:00:00",""
"7055144","7.8969","0.0002","9.4631","0.0003","9.992","0.0003","74.851","0.003","89.546","0.003","84.803","0.0019","717.69","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Mo O4 -","- C16 H14 Mo O4 -","- C32 H28 Mo2 O8 -","2","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.0216","0.0202","","","0.0523","0.0534","","","","","","1.107","","","","has coordinates,has disorder","176134","2020-10-21","18:00:00",""
"7055145","7.721","0.0006","15.632","0.0012","23.2461","0.0018","90","","90","","90","","2805.7","0.4","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Mo O3 -","- C16 H14 Mo O3 -","- C128 H112 Mo8 O24 -","8","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.0469","0.0292","","","0.0597","0.0685","","","","","","1.083","","","","has coordinates","176134","2020-10-21","18:00:00",""
"7055146","10.229","0.0003","8.629","0.0007","21.3501","0.0013","90","","110.029","0.004","90","","1770.51","0.19","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Mo O4 -","- C22 H16 Mo O4 -","- C88 H64 Mo4 O16 -","4","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.034","0.0244","","","0.0522","0.0577","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055147","15.7229","0.0006","10.526","0.0004","10.5021","0.0007","90","","96.03","0.007","90","","1728.47","0.15","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Mo N O3 -","- C19 H21 Mo N O3 -","- C76 H84 Mo4 N4 O12 -","4","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.0351","0.027","","","0.0637","0.0691","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055148","15.0282","0.0004","7.542","0.0002","14.8454","0.0005","90","","91.901","0.002","90","","1681.69","0.08","150","1","150","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 O -","- C11 H10 O -","- C88 H80 O8 -","8","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.0708","0.0462","","","0.1032","0.12","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055149","7.002","0.0006","8.928","0.0006","17.3821","0.0007","75.562","0.005","85.442","0.006","74.224","0.006","1012.59","0.12","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Cl Mo N O4 -","- C22 H20 Cl Mo N O4 -","- C44 H40 Cl2 Mo2 N2 O8 -","2","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.0401","0.0303","","","0.0635","0.068","","","","","","1.073","","","","has coordinates","176134","2020-10-21","18:00:00",""
"7055150","13.471","0.003","14.06","0.003","18.498","0.004","106.035","0.003","103.8","0.003","92.507","0.003","3247.4","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C126 H108 B2 Fe2 Mn2 N26 O2 -","- C124.428 H101.284 B2 Fe2 Mn2 N26 O2 -","- C124.428 H101.284 B2 Fe2 Mn2 N26 O2 -","1","0.5","","Gao, Feng; Zhu, Guang-Zhou; Yang, Liu; Yao, Min-Xia","Cyanide-bridged heterobimetallic magnetic complexes based on metalloporphyrinate and tricyanometalate building blocks","New J. Chem.","2016","40","1","365","","10.1039/C5NJ02132D","","","0.71073","MoKα","","0.0727","0.0575","","","0.1879","0.2004","","","","","","1.104","","","","has coordinates,has disorder","176126","2020-10-21","18:00:00",""
"7055151","19.758","0.003","12.4162","0.0017","22.828","0.003","90","","105.308","0.002","90","","5401.5","1.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C114 H82.55 B2 Cr2 Mn2 N26 O2.28 -","- C113.726 H81.1768 B2 Cr2 Mn2 N26 O2.2744 -","- C227.451 H162.354 B4 Cr4 Mn4 N52 O4.5488 -","2","0.5","","Gao, Feng; Zhu, Guang-Zhou; Yang, Liu; Yao, Min-Xia","Cyanide-bridged heterobimetallic magnetic complexes based on metalloporphyrinate and tricyanometalate building blocks","New J. Chem.","2016","40","1","365","","10.1039/C5NJ02132D","","","0.71073","MoKα","","0.0762","0.0623","","","0.1737","0.1843","","","","","","1.066","","","","has coordinates,has disorder","176126","2020-10-21","18:00:00",""
"7055152","20.928","0.007","14.437","0.004","20.777","0.006","90","","105.019","0.003","90","","6063","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 B Fe Mn N17 -","- C58 H46 B Fe Mn N17 -","- C232 H184 B4 Fe4 Mn4 N68 -","4","1","","Gao, Feng; Zhu, Guang-Zhou; Yang, Liu; Yao, Min-Xia","Cyanide-bridged heterobimetallic magnetic complexes based on metalloporphyrinate and tricyanometalate building blocks","New J. Chem.","2016","40","1","365","","10.1039/C5NJ02132D","","","0.71073","MoKα","","0.1345","0.1146","","","0.2569","0.2674","","","","","","1.021","","","","has coordinates","176126","2020-10-21","18:00:00",""
"7055153","6.9244","0.0012","7.3583","0.0012","9.5353","0.0016","105.537","0.003","102.545","0.003","110.219","0.003","412.65","0.12","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 Co N8 O10 -","- C8 H20 Co N8 O10 -","- C8 H20 Co N8 O10 -","1","0.5","","Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah","Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution","New J. Chem.","2016","40","1","257","","10.1039/C5NJ01134E","","","0.71073","MoKα","","0.0333","0.0304","","","0.0891","0.0925","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055154","6.881","0.004","7.283","0.004","9.541","0.005","105.601","0.01","102.526","0.01","109.834","0.01","407.4","0.4","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 N8 Ni O10 -","- C8 H22 N8 Ni O10 -","- C8 H22 N8 Ni O10 -","1","0.5","","Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah","Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution","New J. Chem.","2016","40","1","257","","10.1039/C5NJ01134E","","","0.71073","MoKα","","0.0949","0.0667","","","0.1499","0.1637","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055155","6.9096","0.001","7.3355","0.001","9.5299","0.0013","105.577","0.002","102.494","0.002","110.156","0.002","410.52","0.1","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 Co0.5 N8 Ni0.5 O10 -","- C8 H22 Co0.5 N8 Ni0.5 O10 -","- C8 H22 Co0.5 N8 Ni0.5 O10 -","1","0.5","","Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah","Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution","New J. Chem.","2016","40","1","257","","10.1039/C5NJ01134E","","","0.71073","MoKα","","0.0318","0.0304","","","0.0888","0.0914","","","","","","0.944","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7055156","12.9196","0.0003","13.3903","0.0003","25.3747","0.0004","90","","95.496","0.001","90","","4369.57","0.16","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H53 Cl N4 O P2 Pd -","- C47 H53 Cl N4 O P2 Pd -","- C188 H212 Cl4 N16 O4 P8 Pd4 -","4","1","","Kinzhalov, Mikhail A.; Novikov, Alexander S.; Luzyanin, Konstantin V.; Haukka, Matti; Pombeiro, Armando J. L.; Kukushkin, Vadim Yu.","PdII-mediated integration of isocyanides and azide ions might proceed via formal 1,3-dipolar cycloaddition between RNC ligands and uncomplexed azide","New J. Chem.","2016","40","1","521","","10.1039/C5NJ02564H","","","0.71073","MoKα","","0.0549","0.0411","","","0.086","0.093","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055158","19.2231","0.0002","11.34721","0.00013","64.2553","0.0009","90","","92.2457","0.0011","90","","14005.2","0.3","200","","200","","","","101","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 O8 S8 -","- C72 H78 O8 S8 -","- C576 H624 O64 S64 -","8","1","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.54184","CuKα","","0.0618","0.0539","","0.133","0.1201","0.1326","","","","","","0.9927","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055159","19.8323","0.0003","10.8754","0.0002","37.256","0.0007","90","","101.47","0.0017","90","","7875","0.2","120","","120","","","","101","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C42 H43 N O6 S4 -","- C42 H43 N O6 S4 -","- C336 H344 N8 O48 S32 -","8","1","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.54184","CuKα","","0.084","0.077","","0.1058","0.1037","0.1057","","","","","","0.9685","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055160","19.3452","0.0006","9.1412","0.0003","19.3696","0.0007","90","","95.901","0.003","90","","3407.1","0.2","200","","200","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H78 O8 S8 -","- C72 H78 O8 S8 -","- C144 H156 O16 S16 -","2","0.5","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.5418","CuKα","","0.0826","0.0632","","0.1804","0.1478","0.1804","","","","","","0.9939","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055161","19.887","0.0006","10.9789","0.0002","20.3062","0.0006","90","","117.855","0.004","90","","3919.9","0.2","190","","190","","","","101","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H43 N O6 S4 -","- C42 H43 N O6 S4 -","- C168 H172 N4 O24 S16 -","4","1","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.5418","CuKα","","0.062","0.0533","","0.1315","0.1218","0.1315","","","","","","0.8997","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055162","19.0018","0.0005","46.9211","0.0012","9.3659","0.0003","90","","90","","90","","8350.5","0.4","190","","190","","","","101","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C86 H89 N3 O12 S8 -","- C86 H89 N3 O12 S8 -","- C344 H356 N12 O48 S32 -","4","1","","Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P.","Arylation of thiacalix[4]arenes using organomercurial intermediates","New J. Chem.","2016","40","2","1104","","10.1039/C5NJ02427G","","","1.54184","CuKα","","0.0628","0.0526","","0.1386","0.123","0.1384","","","","","","0.9025","","","","has coordinates,has disorder","177898","2020-10-21","18:00:00",""
"7055163","9.562","0.005","19.281","0.005","23.109","0.005","79.293","0.005","83.66","0.005","77.619","0.005","4078","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H51 Cl2 Mo N5 O S2 Se -","- C37 H51 Cl2 Mo N5 O S2 Se -","- C148 H204 Cl8 Mo4 N20 O4 S8 Se4 -","4","2","","Mitra, Joyee; Sarkar, Sabyasachi","Photoinduced electron transfer from the oxo‒MoIVselenolato complex to oxygen","New J. Chem.","2016","40","1","626","","10.1039/C5NJ02494C","","","0.71069","MoKα","","0.1092","0.0713","","","0.1935","0.29","","","","","","1.021","","","","has coordinates","176124","2020-10-21","18:00:00",""
"7055164","9.288","0.005","11.771","0.005","19.492","0.005","83.3","0.005","84.385","0.005","83.738","0.005","2096","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[NBu4][OMo(phen)(SePh)(mnt)].CH2Cl2","","","- C39 H51 Cl2 Mo N5 O S2 Se -","- C39 H51 Cl2 Mo N5 O S2 Se -","- C78 H102 Cl4 Mo2 N10 O2 S4 Se2 -","2","1","","Mitra, Joyee; Sarkar, Sabyasachi","Photoinduced electron transfer from the oxo‒MoIVselenolato complex to oxygen","New J. Chem.","2016","40","1","626","","10.1039/C5NJ02494C","","","0.71069","MoKα","","0.1068","0.0806","","","0.2377","0.3139","","","","","","1.272","","","","has coordinates","176124","2020-10-21","18:00:00",""
"7055165","8.54","0.002","9.813","0.003","11.707","0.003","82.404","0.004","73.547","0.004","68.028","0.004","872.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N2 O12 V -","- C14 H15 N2 O12 V -","- C28 H30 N4 O24 V2 -","2","1","","Feng, Xiao Dong; Zhang, Xiao Xi; Wang, Zhi Nan; Song, Jian; Xing, Yong Heng; Bai, Feng Ying","Mimicking vanadium haloperoxidases: vanadium(iii)‒carboxylic acid complexes and their application in H2O2detection","New J. Chem.","2016","40","2","1222","","10.1039/C5NJ01905B","","","0.71073","MoKα","","0.0835","0.0555","","","0.1371","0.1534","","","","","","1.044","","","","has coordinates","177888","2020-10-21","18:00:00",""
"7055166","15.3219","0.0017","17.734","0.002","6.6947","0.0008","90","","90.641","0.002","90","","1819","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 N O9 V -","- C15 H11 F3 N O9 V -","- C60 H44 F12 N4 O36 V4 -","4","1","","Feng, Xiao Dong; Zhang, Xiao Xi; Wang, Zhi Nan; Song, Jian; Xing, Yong Heng; Bai, Feng Ying","Mimicking vanadium haloperoxidases: vanadium(iii)‒carboxylic acid complexes and their application in H2O2detection","New J. Chem.","2016","40","2","1222","","10.1039/C5NJ01905B","","","0.71073","MoKα","","0.0567","0.0387","","","0.0975","0.1066","","","","","","1.037","","","","has coordinates,has disorder","177888","2020-10-21","18:00:00",""
"7055167","10.66","0.0002","10.758","0.0002","13.6855","0.0003","106.201","0.002","95.799","0.002","119.067","0.002","1263.9","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Ag2 Cl2 N8 O12 -","- C16 H24 Ag2 Cl2 N8 O12 -","- C32 H48 Ag4 Cl4 N16 O24 -","2","1","","Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Małecka, Magdalena; Lisowska, Katarzyna; Ochocki, Justyn","Influence of selected inorganic counter-ions on the structure and antimicrobial properties of silver(i) complexes with imidazole-containing ligands","New J. Chem.","2016","40","1","694","","10.1039/C5NJ02514A","","","0.71073","MoKα","","0.0179","0.0169","","","0.0456","0.0463","","","","","","1.096","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7055168","7.7766","0.0002","15.2479","0.0003","11.6266","0.0002","90","","97.599","0.002","90","","1366.54","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Ag2 F6 N8 O8 -","- C20 H24 Ag2 F6 N8 O8 -","- C40 H48 Ag4 F12 N16 O16 -","2","0.5","","Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Małecka, Magdalena; Lisowska, Katarzyna; Ochocki, Justyn","Influence of selected inorganic counter-ions on the structure and antimicrobial properties of silver(i) complexes with imidazole-containing ligands","New J. Chem.","2016","40","1","694","","10.1039/C5NJ02514A","","","0.71073","MoKα","","0.0286","0.0283","","","0.0665","0.0667","","","","","","1.142","","","","has coordinates,has disorder","176132","2020-10-21","18:00:00",""
"7055169","7.9688","0.0003","9.2044","0.0002","9.3306","0.0003","73.719","0.003","76.471","0.003","74.445","0.002","623.48","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Ag2 B2 F8 N8 O4 -","- C16 H24 Ag2 B2 F8 N8 O4 -","- C16 H24 Ag2 B2 F8 N8 O4 -","1","0.5","","Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Małecka, Magdalena; Lisowska, Katarzyna; Ochocki, Justyn","Influence of selected inorganic counter-ions on the structure and antimicrobial properties of silver(i) complexes with imidazole-containing ligands","New J. Chem.","2016","40","1","694","","10.1039/C5NJ02514A","","","0.71073","MoKα","","0.0217","0.021","","","0.0492","0.0497","","","","","","1.055","","","","has coordinates,has disorder","176132","2020-10-21","18:00:00",""
"7055170","17.7272","0.0003","10.9714","0.0002","10.2468","0.0002","90","","97.6257","0.0019","90","","1975.3","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N2 O3 P S -","- C19 H16 Cl N2 O3 P S -","- C76 H64 Cl4 N8 O12 P4 S4 -","4","1","","Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav; Safin, Damir A.","Detailed studies of the interaction of 3-chloroaniline with O,O′-diphenylphosphorylisothiocyanate","New J. Chem.","2016","40","2","1230","","10.1039/C5NJ02588E","","","0.71073","MoKα","","0.042","0.0387","","","0.0932","0.0951","","","","","","1.039","","","","has coordinates,has disorder","177896","2020-10-21","18:00:00",""
"7055171","15.742","0.004","7.7102","0.0009","7.0694","0.0012","90","","99.36","0.02","90","","846.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cl N2 S -","- C7 H7 Cl N2 S -","- C28 H28 Cl4 N8 S4 -","4","1","","Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav; Safin, Damir A.","Detailed studies of the interaction of 3-chloroaniline with O,O′-diphenylphosphorylisothiocyanate","New J. Chem.","2016","40","2","1230","","10.1039/C5NJ02588E","","","0.71073","MoKα","","0.1194","0.0928","","","0.2066","0.2191","","","","","","1.084","","","","has coordinates","177896","2020-10-21","18:00:00",""
"7055172","6.7856","0.0006","11.797","0.005","15.113","0.004","67.8","0.03","80.388","0.017","74.82","0.02","1077.9","0.6","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl N O4 P -","- C21 H20 Cl N O4 P -","- C42 H40 Cl2 N2 O8 P2 -","2","1","","Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav; Safin, Damir A.","Detailed studies of the interaction of 3-chloroaniline with O,O′-diphenylphosphorylisothiocyanate","New J. Chem.","2016","40","2","1230","","10.1039/C5NJ02588E","","","0.71073","MoKα","","0.0576","0.0471","","","0.1293","0.1417","","","","","","1.049","","","","has coordinates","177896","2020-10-21","18:00:00",""
"7055173","8.4353","0.0004","14.9782","0.0009","11.5168","0.0008","90","","104.453","0.006","90","","1409.05","0.15","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 S -","- C13 H15 Cl N2 S -","- C52 H60 Cl4 N8 S4 -","4","1","","Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav; Safin, Damir A.","Detailed studies of the interaction of 3-chloroaniline with O,O′-diphenylphosphorylisothiocyanate","New J. Chem.","2016","40","2","1230","","10.1039/C5NJ02588E","","","0.71073","MoKα","","0.0783","0.0552","","","0.1681","0.1878","","","","","","1.005","","","","has coordinates","177896","2020-10-21","18:00:00",""
"7055174","17.9949","0.0007","17.9949","0.0007","64.9775","0.0008","90","","90","","120","","18221.9","1","291","2","291","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","compoud 1","","- C27.5 H26.9 Cd N2.5 O10 -","- C26 H20 Cd N2 O8 -","- C468 H360 Cd18 N36 O144 -","18","0.5","","Su, Jian; Yao, Liudi; Zhang, Jun; Yuan, Shizhen; Xie, Fazhi; Ding, Yi; Zhao, Meng; Wang, Shichao; Li, Hao; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","A novel 2D infinite M3L2cage-based Cd(ii) microporous coordination polymer with a tripodal carboxylic acid ligand and solvent-dependent luminescence properties","New J. Chem.","2016","40","1","97","","10.1039/C5NJ02144H","","","0.71073","MoKα","","0.1388","0.0626","","","0.1909","0.2203","","","","","","1.012","","","","has coordinates,has disorder","176128","2020-10-21","18:00:00",""
"7055175","12.985","0.0003","13.0948","0.0003","16.3926","0.0004","93.7823","0.0019","103.688","0.002","100.746","0.002","2642.92","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H53 N3 O3 -","- C70 H53 N3 O3 -","- C140 H106 N6 O6 -","2","1","","Bekere, Laura; Lokshin, Vladimir; Sigalov, Mark; Gvishi, Raz; Zhao, Peng; Hagan, David J.; Van Stryland, Eric W.; Khodorkovsky, Vladimir","Chromenes involving a two-photon absorbing moiety: photochromism via intramolecular resonance energy transfer","New J. Chem.","2016","40","2","1143","","10.1039/C5NJ02490K","","x-ray","1.54184","CuKα","","0.061","0.053","","","0.1444","0.1534","","","","","","1.051","","","","has coordinates","204135","2020-10-21","18:00:00",""
"7055176","13.2538","0.0006","21.2051","0.0004","25.4117","0.0013","90","","134.348","0.009","90","","5107.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2,7-di(9H-carbazol-9-yl)-9-methyl-9H-fluoren-9-yl)propyl 8-methyl-2,2-diphenyl-2H-benzo[h]chromene-5-carboxylate","","- C68 H50 N2 O3 -","- C68 H50 N2 O3 -","- C272 H200 N8 O12 -","4","1","","Bekere, Laura; Lokshin, Vladimir; Sigalov, Mark; Gvishi, Raz; Zhao, Peng; Hagan, David J.; Van Stryland, Eric W.; Khodorkovsky, Vladimir","Chromenes involving a two-photon absorbing moiety: photochromism via intramolecular resonance energy transfer","New J. Chem.","2016","40","2","1143","","10.1039/C5NJ02490K","","x-ray","1.54184","CuKα","","0.1141","0.0961","","","0.2824","0.3022","","","","","","1.115","","","","has coordinates","177890","2020-10-21","18:00:00",""
"7055177","8.2321","0.0007","9.8695","0.0008","12.5776","0.001","101.763","0.003","103.543","0.002","100.003","0.003","945.92","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Cu F6 N12 O12 S4 -","- C26 H28 Cu F6 N12 O12 S4 -","- C26 H28 Cu F6 N12 O12 S4 -","1","0.5","","Silva, Telma F. S.; Rocha, Bruno G. M.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","V(iv), Fe(ii), Ni(ii) and Cu(ii) complexes bearing 2,2,2-tris(pyrazol-1-yl)ethyl methanesulfonate: application as catalysts for the cyclooctane oxidation","New J. Chem.","2016","40","1","528","","10.1039/C5NJ01865J","","","0.71069","MoKα","","0.1003","0.0679","","","0.1943","0.2237","","","","","","0.935","","","","has coordinates,has disorder","176131","2020-10-21","18:00:00",""
"7055178","12.3279","0.0012","12.8597","0.0009","13.1221","0.0009","104.215","0.006","100.333","0.007","105.122","0.007","1879.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H88 Cl4 N6 O30 Zn -","- C64 H84 Cl4 N6 O30 Zn -","- C64 H84 Cl4 N6 O30 Zn -","1","0.5","","Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","A sandwich-type zinc complex from a rhodamine dye based ligand: a potential fluorescent chemosensor for acetate in human blood plasma and a molecular logic gate with INHIBIT function","New J. Chem.","2016","40","2","1269","","10.1039/C5NJ02175H","","","0.71073","MoKα","","0.1081","0.0827","","","0.2386","0.2735","","","","","","1.053","","","","has coordinates","177889","2020-10-21","18:00:00",""
"7055179","47.02","0.06","10.77","0.007","23.78","0.03","90","","94.87","0.06","90","","11999","2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H60 Co2 N4 O22 -","- C53 H40 Co2 N4 O16 -","- C424 H320 Co16 N32 O128 -","8","1","","Li, Zhao; Chen, Xi; Yu, Fan; Su, Min; Zhang, Bi-quan; Li, Bao; Zhang, Tian-le","A porous framework based on tetrakis(4-pyridyloxymethyl)methane fine-tuned by metal ions: synthesis, crystal structures and adsorption properties","New J. Chem.","2016","40","2","1430","","10.1039/C5NJ02002F","","","0.71","MoKα","","0.1661","0.0936","","","0.2455","0.3208","","","","","","0.98","","","","has coordinates","177891","2020-10-21","18:00:00",""
"7055180","18.894","0.004","20.963","0.004","22.381","0.005","90","","114.95","0.03","90","","8037","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H70 N6 O24 Zn2 -","- C53 H40 N4 O14 Zn2 -","- C212 H160 N16 O56 Zn8 -","4","0.5","","Li, Zhao; Chen, Xi; Yu, Fan; Su, Min; Zhang, Bi-quan; Li, Bao; Zhang, Tian-le","A porous framework based on tetrakis(4-pyridyloxymethyl)methane fine-tuned by metal ions: synthesis, crystal structures and adsorption properties","New J. Chem.","2016","40","2","1430","","10.1039/C5NJ02002F","","","1.54178","CuKα","","0.1485","0.1365","","","0.3446","0.3586","","","","","","1.497","","","","has coordinates","177891","2020-10-21","18:00:00",""
"7055181","46.403","","11.125","","24.144","","90","","98.48","","90","","12327.7","","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H64 Cd2 N14 O24 -","- C53 H38 Cd2 N4 O16 -","- C424 H304 Cd16 N32 O128 -","8","1","","Li, Zhao; Chen, Xi; Yu, Fan; Su, Min; Zhang, Bi-quan; Li, Bao; Zhang, Tian-le","A porous framework based on tetrakis(4-pyridyloxymethyl)methane fine-tuned by metal ions: synthesis, crystal structures and adsorption properties","New J. Chem.","2016","40","2","1430","","10.1039/C5NJ02002F","","","0.71","MoKα","","0.1673","0.0712","","","0.1741","0.2178","","","","","","1.005","","","","has coordinates,has disorder","177891","2020-10-21","18:00:00",""
"7055182","10.614","0.009","8.737","0.007","12.75","0.011","90","","112.7","0.02","90","","1090.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Mn2 N8 O8 -","- C52 H36 Mn2 N8 O8 -","- C52 H36 Mn2 N8 O8 -","1","0.25","","Banerjee, Kaustuv; Biradha, Kumar","Two-dimensional coordination polymers and metal‒organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties","New J. Chem.","2016","40","3","1997","","10.1039/C5NJ02193F","","","0.71073","MoKα","","0.1163","0.0483","","","0.1164","0.1416","","","","","","0.793","","","","has coordinates","181753","2020-10-21","18:00:00",""
"7055183","10.811","0.006","8.73","0.005","12.942","0.007","90","","113.866","0.017","90","","1117","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C52 H36 Cd2 N8 O8 -","2","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Two-dimensional coordination polymers and metal‒organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties","New J. Chem.","2016","40","3","1997","","10.1039/C5NJ02193F","","","0.71073","MoKα","","0.1399","0.0771","","","0.1689","0.1925","","","","","","0.889","","","","has coordinates","181753","2020-10-21","18:00:00",""
"7055184","9.289","0.002","9.986","0.003","13.136","0.003","90","","109.741","0.007","90","","1146.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 O4 Zn -","- C26 H18 N4 O4 Zn -","- C52 H36 N8 O8 Zn2 -","2","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Two-dimensional coordination polymers and metal‒organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties","New J. Chem.","2016","40","3","1997","","10.1039/C5NJ02193F","","","0.71073","MoKα","","0.0447","0.0322","","","0.1019","0.1129","","","","","","0.841","","","","has coordinates","181753","2020-10-21","18:00:00",""
"7055185","9.297","0.003","9.981","0.003","13.148","0.004","90","","109.752","0.008","90","","1148.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Mn N4 O4 -","- C26 H18 Mn N4 O4 -","- C52 H36 Mn2 N8 O8 -","2","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Two-dimensional coordination polymers and metal‒organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties","New J. Chem.","2016","40","3","1997","","10.1039/C5NJ02193F","","","0.71073","MoKα","","0.1576","0.0699","","","0.1653","0.2109","","","","","","1.067","","","","has coordinates","181753","2020-10-21","18:00:00",""
"7055186","8.404","0.002","9.573","0.002","10.905","0.003","91.915","0.006","111.122","0.006","101.924","0.006","795.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H10 Ag F3 N2 O5 S -","- C14 H9 Ag F3 N2 O5 S -","- C28 H18 Ag2 F6 N4 O10 S2 -","2","1","","Banerjee, Kaustuv; Biradha, Kumar","Two-dimensional coordination polymers and metal‒organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties","New J. Chem.","2016","40","3","1997","","10.1039/C5NJ02193F","","","0.71073","MoKα","","0.0701","0.0604","","","0.142","0.1468","","","","","","0.684","","","","has coordinates","181753","2020-10-21","18:00:00",""
"7055187","24.1919","0.0006","24.1919","0.0006","12.7495","0.0002","90","","90","","120","","6462","0.2","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","[Cu(anti-23)]","","","- C23 H30 Cu N10 O2 -","- C23 H30 Cu N10 O2 -","- C207 H270 Cu9 N90 O18 -","9","1","","Felten, A.-S.; Petry, N.; Henry, B.; Pellegrini-Moïse, N.; Selmeczi, K.","C-Functionalized chiral dioxocyclam and cyclam derivatives with 1,2,3-triazole units: synthesis, complexation properties and crystal structures of copper(ii) complexes","New J. Chem.","2016","40","2","1507","","10.1039/C5NJ01927C","","","0.71073","MoKα","","0.0335","0.0295","","","0.0742","0.0768","","","","","","1.024","","","","has coordinates","177887","2020-10-21","18:00:00",""
"7055188","12.2504","0.0001","12.2504","0.0001","42.3729","0.0007","90","","90","","90","","6359","0.13","100","2","100.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","[Cu(syn-25)]","","","- C23 H34 Cu N10 O4 -","- C23 H34 Cu N10 O4 -","- C184 H272 Cu8 N80 O32 -","8","1","","Felten, A.-S.; Petry, N.; Henry, B.; Pellegrini-Moïse, N.; Selmeczi, K.","C-Functionalized chiral dioxocyclam and cyclam derivatives with 1,2,3-triazole units: synthesis, complexation properties and crystal structures of copper(ii) complexes","New J. Chem.","2016","40","2","1507","","10.1039/C5NJ01927C","","","1.5418","CuKα","","0.0463","0.0438","","","0.1061","0.1083","","","","","","1.043","","","","has coordinates","177887","2020-10-21","18:00:00",""
"7055189","38.562","0.008","9.0853","0.0019","7.0499","0.0015","90","","92.608","0.011","90","","2467.4","0.9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 F6 N4 S4 -","- C28 H12 F6 N4 S4 -","- C112 H48 F24 N16 S16 -","4","0.5","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","0.71075","MoKα","","0.0974","0.0757","","","0.1391","0.1488","","","","","","1.156","","","","has coordinates","177895","2020-10-21","18:00:00",""
"7055190","5.0599","0.0008","6.4683","0.0013","20.014","0.003","93.915","0.015","97.142","0.013","102.709","0.014","630.93","0.19","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H12 F6 N4 S4 -","- C28 H12 F6 N4 S4 -","- C28 H12 F6 N4 S4 -","1","0.5","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","1.54178","CuKα","","0.0755","0.0626","","","0.1764","0.1872","","","","","","1.066","","","","has coordinates","177895","2020-10-21","18:00:00",""
"7055191","4.859","0.004","22.931","0.018","22.781","0.018","90","","92.026","0.012","90","","2537","4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 F6 N4 S4 -","- C28 H12 F6 N4 S4 -","- C112 H48 F24 N16 S16 -","4","1","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","0.71075","MoKα","","0.0955","0.0684","","","0.1581","0.1942","","","","","","1.123","","","","has coordinates","177895","2020-10-21","18:00:00",""
"7055192","40.73","0.07","9.045","0.015","7.129","0.012","90","","95.19","0.03","90","","2616","8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 F6 N4 O2 S4 -","- C28 H12 F6 N4 O2 S4 -","- C112 H48 F24 N16 O8 S16 -","4","0.5","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","0.71075","MoKα","","0.1696","0.1264","","","0.298","0.3288","","","","","","1.105","","","","has coordinates","177895","2020-10-21","18:00:00",""
"7055193","4.8806","0.0019","6.618","0.003","20.996","0.01","96.69","0.03","94.33","0.04","103.15","0.03","652.2","0.5","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H12 F6 N4 O2 S4 -","- C28 H12 F6 N4 O2 S4 -","- C28 H12 F6 N4 O2 S4 -","1","0.5","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","1.54178","CuKα","","0.12","0.0676","","","0.1937","0.2278","","","","","","1.059","","","","has coordinates","177895","2020-10-21","18:00:00",""
"7055194","10.999","0.002","7.0481","0.0013","33.51","0.006","90","","96.985","0.01","90","","2578.5","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 F6 N4 O2 S4 -","- C28 H12 F6 N4 O2 S4 -","- C112 H48 F24 N16 O8 S16 -","4","1","","Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo","Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives","New J. Chem.","2016","40","2","1403","","10.1039/C5NJ02302E","","","0.71075","MoKα","","0.1293","0.0894","","","0.21","0.2442","","","","","","1.08","","","","has coordinates,has disorder","177895","2020-10-21","18:00:00",""
"7055195","17.4889","0.0014","17.3814","0.0011","8.2889","0.0006","90","","99.779","0.008","90","","2483.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Cl N2 O4 S -","- C28 H21 Cl N2 O4 S -","- C112 H84 Cl4 N8 O16 S4 -","4","1","","Ali, Yakub; Alam, Mohammad Sarwar; Hamid, Hinna; Husain, Asif; Dhulap, Abhijeet; Hussain, Firasat; Bano, Sameena; Kharbanda, Chetna","Molecular modeling and synthesis of some new 2-imino-4-thiazolidinone derivatives with promising TNF-α inhibitory activity","New J. Chem.","2016","40","1","711","","10.1039/C5NJ00078E","","","0.71073","MoKα","","0.217","0.0949","","","0.1531","0.2046","","","","","","0.988","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7055196","7.7271","0.0007","9.6737","0.0008","10.9425","0.001","69.74","0.003","87.236","0.002","67.112","0.003","703.38","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N4 O9 Zn -","- C12 H10 N4 O9 Zn -","- C24 H20 N8 O18 Zn2 -","2","1","","Karmakar, Anirban; Paul, Anup; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","pH dependent synthesis of Zn(ii) and Cd(ii) coordination polymers with dicarboxyl-functionalized arylhydrazone of barbituric acid: photoluminescence properties and catalysts for Knoevenagel condensation","New J. Chem.","2016","40","2","1535","","10.1039/C5NJ02411K","","","0.71073","MoKα","","0.0475","0.0381","","","0.0972","0.1013","","","","","","1.09","","","","has coordinates","177885","2020-10-21","18:00:00",""
"7055197","7.8701","0.0005","10.0231","0.0006","10.5151","0.0007","107.894","0.002","91.326","0.003","113.088","0.002","716.27","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cd N4 O9 -","- C12 H10 Cd N4 O9 -","- C24 H20 Cd2 N8 O18 -","2","1","","Karmakar, Anirban; Paul, Anup; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","pH dependent synthesis of Zn(ii) and Cd(ii) coordination polymers with dicarboxyl-functionalized arylhydrazone of barbituric acid: photoluminescence properties and catalysts for Knoevenagel condensation","New J. Chem.","2016","40","2","1535","","10.1039/C5NJ02411K","","","0.71073","MoKα","","0.031","0.0302","","","0.0768","0.0775","","","","","","1.132","","","","has coordinates","177885","2020-10-21","18:00:00",""
"7055198","7.5088","0.0005","13.6816","0.0009","18.8063","0.0012","90","","96.493","0.003","90","","1919.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 O13 Zn -","- C12 H18 N4 O13 Zn -","- C48 H72 N16 O52 Zn4 -","4","1","","Karmakar, Anirban; Paul, Anup; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","pH dependent synthesis of Zn(ii) and Cd(ii) coordination polymers with dicarboxyl-functionalized arylhydrazone of barbituric acid: photoluminescence properties and catalysts for Knoevenagel condensation","New J. Chem.","2016","40","2","1535","","10.1039/C5NJ02411K","","","0.71073","MoKα","","0.0768","0.0444","","","0.1015","0.1156","","","","","","1.048","","","","has coordinates","177885","2020-10-21","18:00:00",""
"7055199","22.127","0.004","15.583","0.004","14.931","0.003","90","","106.34","0.01","90","","4940.3","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Cd N4 O14 -","- C12 H14 Cd N4 O11 -","- C96 H112 Cd8 N32 O88 -","8","1","","Karmakar, Anirban; Paul, Anup; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","pH dependent synthesis of Zn(ii) and Cd(ii) coordination polymers with dicarboxyl-functionalized arylhydrazone of barbituric acid: photoluminescence properties and catalysts for Knoevenagel condensation","New J. Chem.","2016","40","2","1535","","10.1039/C5NJ02411K","","","0.71073","MoKα","","0.0898","0.058","","","0.1601","0.1734","","","","","","1.053","","","","has coordinates","177885","2020-10-21","18:00:00",""
"7055200","26.7027","0.0014","3.8296","0.0002","13.3781","0.0007","90","","90","","90","","1368.05","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Roy, Manojit; Roy, Subhadip; Singh, Keisham Surjit; Kalita, Janmoni; Singh, S. Sureshkumar","Synthesis, characterization and anti-diabetic assay of diorganotin(iv) azo-carboxylates: crystal structure and topological studies of azo-dicarboxylic acid ligand and its cyclic tetranuclear dimethyltin(iv) complex","New J. Chem.","2016","40","2","1471","","10.1039/C5NJ02637G","","","0.71073","MoKα","","0.0913","0.0406","","","0.0749","0.0948","","","","","","1.01","","","","has coordinates","177886","2020-10-21","18:00:00",""
"7055201","9.5462","0.0003","9.782","0.0003","11.8061","0.0004","88.004","0.002","69.65","0.002","79.051","0.002","1014.26","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N4 O12 Sn4 -","- C36 H40 N4 O12 Sn4 -","- C36 H40 N4 O12 Sn4 -","1","0.5","","Roy, Manojit; Roy, Subhadip; Singh, Keisham Surjit; Kalita, Janmoni; Singh, S. Sureshkumar","Synthesis, characterization and anti-diabetic assay of diorganotin(iv) azo-carboxylates: crystal structure and topological studies of azo-dicarboxylic acid ligand and its cyclic tetranuclear dimethyltin(iv) complex","New J. Chem.","2016","40","2","1471","","10.1039/C5NJ02637G","","","0.71073","MoKα","","0.0409","0.0284","","","0.0584","0.0659","","","","","","1.106","","","","has coordinates,has disorder","177886","2020-10-21","18:00:00",""
"7055202","10.966","0.003","7.485","0.0012","23.09","0.02","90","","100.94","0.05","90","","1860.8","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,4-diazabicyclo[2.2.2]octane hydroiodide water methanol cocrystal","","- C7 H19 I N2 O2 -","- C7 H19 I N2 O2 -","- C56 H152 I8 N16 O16 -","8","1","","Olejniczak, A.; Podsiadło, M.; Katrusiak, A.","High pressure used for producing a new solvate of 1,4-diazabicyclo[2.2.2]octane hydroiodide","New J. Chem.","2016","40","3","2014","","10.1039/C5NJ01654A","","","0.71073","MoKα","","0.0919","0.0459","","","0.1169","0.1544","","","","","","1.085","","","","has coordinates","181764","2020-10-21","18:00:00",""
"7055203","22.807","0.004","25.243","0.005","16.204","0.003","90","","133.809","0.002","90","","6732","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 N8 O10 Zn2 -","- C46 H30 N8 O10 Zn2 -","- C184 H120 N32 O40 Zn8 -","4","0.5","","Yao, Wan-Ting; Luo, Ming-Biao; Feng, Xue-Feng; Meng, Pan-Pan; Gong, Le-Le; Luo, Feng","Construction of structural diversity and fine-tuned porosity in acylamide MOFs by a synthetic approach","New J. Chem.","2016","40","3","2021","","10.1039/C5NJ02634B","","","0.71073","MoKα","","0.061","0.0399","","","0.0946","0.0995","","","","","","0.901","","","","has coordinates","181776","2020-10-21","18:00:00",""
"7055204","17.202","0.005","17.211","0.005","18.875","0.006","90","","114.062","0.004","90","","5103","3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H14 N4 O5 Zn -","- C23 H14 N4 O5 Zn -","- C92 H56 N16 O20 Zn4 -","4","1","","Yao, Wan-Ting; Luo, Ming-Biao; Feng, Xue-Feng; Meng, Pan-Pan; Gong, Le-Le; Luo, Feng","Construction of structural diversity and fine-tuned porosity in acylamide MOFs by a synthetic approach","New J. Chem.","2016","40","3","2021","","10.1039/C5NJ02634B","","","0.71073","MoKα","","0.0982","0.0586","","","0.1357","0.1536","","","","","","0.832","","","","has coordinates","181776","2020-10-21","18:00:00",""
"7055205","23.2393","0.0018","25.042","0.002","53.544","0.004","90","","94.148","0.004","90","","31079","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Zn4(AzDC)4(L)2(DMF)1.5(H2O)0.5","","- C104 H68 N16 O20 Zn4 -","- C104 H68 N16 O20 Zn4 -","- C832 H544 N128 O160 Zn32 -","8","1","","Yao, Wan-Ting; Luo, Ming-Biao; Feng, Xue-Feng; Meng, Pan-Pan; Gong, Le-Le; Luo, Feng","Construction of structural diversity and fine-tuned porosity in acylamide MOFs by a synthetic approach","New J. Chem.","2016","40","3","2021","","10.1039/C5NJ02634B","","","0.71073","MoKα","","0.2433","0.1859","","","0.5286","0.5556","","","","","","1.07","","","","has coordinates","181776","2020-10-21","18:00:00",""
"7055206","16.833","0.0014","29.227","0.002","53.531","0.004","90","","96.338","0.004","90","","26175","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Zn4(AzDC)4(L)4(DMF)4.5","","- C152 H104 N23 O24 Zn4 -","- C152 H104 N23 O24 Zn4 -","- C608 H416 N92 O96 Zn16 -","4","0.5","","Yao, Wan-Ting; Luo, Ming-Biao; Feng, Xue-Feng; Meng, Pan-Pan; Gong, Le-Le; Luo, Feng","Construction of structural diversity and fine-tuned porosity in acylamide MOFs by a synthetic approach","New J. Chem.","2016","40","3","2021","","10.1039/C5NJ02634B","","","0.71073","MoKα","","0.2007","0.1719","","","0.5027","0.5265","","","","","","1.088","","","","has coordinates","181776","2020-10-21","18:00:00",""
"7055215","12.577","0.003","8.509","0.008","20.565","0.006","90","","102.9","0.02","90","","2145","2","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl N3 O2 -","- C10 H8 Cl N3 O2 -","- C80 H64 Cl8 N24 O16 -","8","2","","Bustos, Carlos; Molins, Elies; Cárcamo, Juan-Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno-Villoslada, Ignacio; Nishide, Hiroyuki; Zarate, Ximena; Schott, Eduardo","A family of substituted hydrazonoisoxazolones with potential biological properties","New J. Chem.","2016","40","3","2156","","10.1039/C5NJ02604K","","x-ray","0.71073","MoKα","","0.1267","0.0615","","","0.1297","0.1462","","","","","","1.009","","","","has coordinates","181756","2020-10-21","18:00:00",""
"7055216","7.642","","7.933","","9.511","","98.77","","104.53","","98.06","","541.945","","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C10 H8 Cl N3 O2 -","- C10 H8 Cl N3 O2 -","- C20 H16 Cl2 N6 O4 -","2","1","","Bustos, Carlos; Molins, Elies; Cárcamo, Juan-Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno-Villoslada, Ignacio; Nishide, Hiroyuki; Zarate, Ximena; Schott, Eduardo","A family of substituted hydrazonoisoxazolones with potential biological properties","New J. Chem.","2016","40","3","2156","","10.1039/C5NJ02604K","","x-ray","0.71073","MoKα","","0.1192","0.0497","","","0.1158","0.1376","","","","","","0.913","","","","has coordinates","181756","2020-10-21","18:00:00",""
"7055217","15.7377","0.0005","21.1254","0.0008","11.7487","0.0003","90","","90","","90","","3906","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H22 Cd1.5 N4 O7 -","- C29 H22 Cd1.5 N4 O7 -","- C116 H88 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","A pair of homochiral porous metal‒organic frameworks with a helical metal-carboxylate layer","New J. Chem.","2016","40","3","1927","","10.1039/C5NJ02236C","","","1.54178","CuKα","","0.0456","0.0413","","","0.1113","0.1143","","","","","","1.043","","","","has coordinates,has disorder","181761","2020-10-21","18:00:00",""
"7055218","15.6969","0.0006","20.9233","0.0007","11.7168","0.0004","90","","90","","90","","3848.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H22 Cd1.5 N4 O7 -","- C29 H22 Cd1.5 N4 O7 -","- C116 H88 Cd6 N16 O28 -","4","1","","Xu, Zhong-Xuan; Liu, Liyang; Zhang, Jian","A pair of homochiral porous metal‒organic frameworks with a helical metal-carboxylate layer","New J. Chem.","2016","40","3","1927","","10.1039/C5NJ02236C","","","0.71073","MoKα","","0.0427","0.0387","","","0.0993","0.1018","","","","","","1.09","","","","has coordinates,has disorder","181761","2020-10-21","18:00:00",""
"7055220","7.96","0.001","13.588","0.002","22.433","0.003","87.035","0.006","83.056","0.005","73.204","0.005","2305.5","0.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 N O5 Si -","- C23 H33 N O5 Si -","- C92 H132 N4 O20 Si4 -","4","2","","Mutneja, Ruchi; Singh, Raghubir; Kaur, Varinder; Wagler, Jörg; Fels, Sabine; Kroke, Edwin","Schiff base tailed silatranes for the fabrication of functionalized silica based magnetic nano-cores possessing active sites for the adsorption of copper ions","New J. Chem.","2016","40","2","1640","","10.1039/C5NJ02287H","","","0.71073","MoKα","","0.2606","0.0729","","","0.1412","0.215","","","","","","0.965","","","","has coordinates","177897","2020-10-21","18:00:00",""
"7055221","7.8815","0.0012","13.2589","0.0008","13.5466","0.0006","117.517","0.002","103.013","0.003","93.115","0.003","1202.5","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 N O5 Si -","- C23 H33 N O5 Si -","- C46 H66 N2 O10 Si2 -","2","1","","Mutneja, Ruchi; Singh, Raghubir; Kaur, Varinder; Wagler, Jörg; Fels, Sabine; Kroke, Edwin","Schiff base tailed silatranes for the fabrication of functionalized silica based magnetic nano-cores possessing active sites for the adsorption of copper ions","New J. Chem.","2016","40","2","1640","","10.1039/C5NJ02287H","","","0.71073","MoKα","","0.072","0.0438","","","0.1119","0.1304","","","","","","1.012","","","","has coordinates,has disorder","177897","2020-10-21","18:00:00",""
"7055222","10.7352","0.0006","13.3873","0.0005","16.2758","0.001","90","","100.095","0.005","90","","2302.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30.3 N2 O5.15 Si -","- C23 H30.3 N2 O5.15 Si -","- C92 H121.2 N8 O20.6 Si4 -","4","1","","Mutneja, Ruchi; Singh, Raghubir; Kaur, Varinder; Wagler, Jörg; Fels, Sabine; Kroke, Edwin","Schiff base tailed silatranes for the fabrication of functionalized silica based magnetic nano-cores possessing active sites for the adsorption of copper ions","New J. Chem.","2016","40","2","1640","","10.1039/C5NJ02287H","","","0.71073","MoKα","","0.0507","0.0397","","","0.0969","0.1029","","","","","","1.037","","","","has coordinates,has disorder","177897","2020-10-21","18:00:00",""
"7055223","9.4731","0.0005","13.5296","0.0008","29.022","0.0018","90","","90","","90","","3719.7","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl4 N2 O3 Zn2 -","- C12 H16 Cl4 N2 O3 Zn2 -","- C96 H128 Cl32 N16 O24 Zn16 -","8","1","","Sharma, Vinay; Mohammad, Akbar; Mishra, Veenu; Chaudhary, Archana; Kapoor, Kshipra; Mobin, Shaikh M.","Fabrication of innovative ZnO nanoflowers showing drastic biological activity","New J. Chem.","2016","40","3","2145","","10.1039/C5NJ02391B","","","0.71073","MoKα","","0.0622","0.0467","","","0.0804","0.0865","","","","","","1.15","","","","has coordinates","181758","2020-10-21","18:00:00",""
"7055224","10.468","0.007","8.1058","0.0006","10.993","0.003","90","","97.69","0.04","90","","924.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Cl2 N O Zn -","- C7 H9 Cl2 N O Zn -","- C28 H36 Cl8 N4 O4 Zn4 -","4","1","","Sharma, Vinay; Mohammad, Akbar; Mishra, Veenu; Chaudhary, Archana; Kapoor, Kshipra; Mobin, Shaikh M.","Fabrication of innovative ZnO nanoflowers showing drastic biological activity","New J. Chem.","2016","40","3","2145","","10.1039/C5NJ02391B","","","0.71073","MoKα","","0.0451","0.0372","","","0.0802","0.0824","","","","","","0.995","","","","has coordinates","181758","2020-10-21","18:00:00",""
"7055225","8.0536","0.0014","15.872","0.002","3.5364","0.0006","90","","100.268","0.007","90","","444.81","0.12","301","","301","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Nd O10 -","- B3 Cd4 Nd O10 -","- B6 Cd8 Nd2 O20 -","2","0.5","","Wang, Xing; Xia, Mingjun; Li, R. K.","Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties","New J. Chem.","2016","40","3","2057","","10.1039/C5NJ02710A","","","0.71073","MoKα","","0.032","0.0311","","","0.073","0.0745","","","","","","1.084","","","","has coordinates","208165","2020-10-21","18:00:00",""
"7055226","10.4864","0.0002","10.4864","0.0002","6.2665","0.0001","90","","90","","120","","596.772","0.019","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- B5 Ca3 Nd3 O15 -","- B5 Ca3 Nd3 O15 -","- B10 Ca6 Nd6 O30 -","2","0.166667","","Wang, Xing; Xia, Mingjun; Li, R. K.","Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties","New J. Chem.","2016","40","3","2057","","10.1039/C5NJ02710A","","","0.71073","MoKα","","0.0245","0.0245","","","0.0584","0.0584","","","","","","1.191","","","","has coordinates","181759","2020-10-21","18:00:00",""
"7055227","8.7069","0.0008","9.1354","0.0008","15.4095","0.0014","98.506","0.0015","91.665","0.0015","113.205","0.0014","1108.98","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H32 K O6 -","- C22 H32 K O6 -","- C44 H64 K2 O12 -","2","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0853","0.0513","","","0.0943","0.1081","","","","","","1.035","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055228","13.0082","0.0008","18.1719","0.0011","15.3774","0.001","90","","112.47","0.001","90","","3359","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H50 K O8 -","- C34 H50 K O8 -","- C136 H200 K4 O32 -","4","2","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0754","0.0444","","","0.0767","0.0878","","","","","","1.004","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055229","8.602","0.0003","21.887","0.0008","22.2344","0.0008","90","","90","","90","","4186.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H32 Li O6 -","- C22 H32 Li O6 -","- C176 H256 Li8 O48 -","8","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0531","0.0368","","","0.081","0.0918","","","","","","1.025","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055230","11.5114","0.0007","11.8386","0.0007","13.627","0.0008","65.213","0.001","70.169","0.001","63.751","0.001","1484.9","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 Na O8 -","- C30 H44 Na O8 -","- C60 H88 Na2 O16 -","2","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0938","0.0491","","","0.0873","0.1074","","","","","","1.011","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055231","22.1045","0.0007","12.5068","0.0004","16","0.0009","90","","132.18","","90","","3277.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Na O8 -","- C36 H46 Na O8 -","- C144 H184 Na4 O32 -","4","0.5","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0375","0.0335","","","0.092","0.0954","","","","","","1.024","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055232","12.8923","0.0012","18.0166","0.0017","15.2947","0.0014","90","","114.036","0.002","90","","3244.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 K O8 -","- C32 H48 K O8 -","- C128 H192 K4 O32 -","4","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.134","0.0607","","","0.133","0.1708","","","","","","1.02","","","","has coordinates,has disorder","181765","2020-10-21","18:00:00",""
"7055233","12.1048","0.0008","17.6109","0.0012","15.2132","0.001","90","","103.67","0.001","90","","3151.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Li O8 -","- C32 H50 Li O8 -","- C128 H200 Li4 O32 -","4","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0637","0.0406","","","0.0901","0.103","","","","","","1","","","","has coordinates,has disorder","181765","2020-10-21","18:00:00",""
"7055234","12.7772","0.0013","17.6539","0.0018","15.1994","0.0015","90","","112.12","0.002","90","","3176.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Na O8 -","- C32 H50 Na O8 -","- C128 H200 Na4 O32 -","4","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0841","0.0424","","","0.0931","0.111","","","","","","1.004","","","","has coordinates,has disorder","181765","2020-10-21","18:00:00",""
"7055235","8.6161","0.0008","15.756","0.0014","19.686","0.0018","90","","98.022","0.002","90","","2646.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Na O8 -","- C26 H42 Na O8 -","- C104 H168 Na4 O32 -","4","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.1053","0.0487","","","0.0853","0.1037","","","","","","1.006","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055236","17.512","0.0018","18.3856","0.0019","23.115","0.002","90","","98.461","0.002","90","","7361.3","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 K O8 -","- C40 H52 K O8 -","- C320 H416 K8 O64 -","8","2","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.1178","0.0656","","","0.1549","0.1784","","","","","","1.04","","","","has coordinates,has disorder","181765","2020-10-21","18:00:00",""
"7055237","8.3174","0.0005","12.2288","0.0008","20.1448","0.0013","104.274","0.001","99.634","0.001","97.908","0.001","1923.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 Li O8 -","- C46 H52 Li O8 -","- C92 H104 Li2 O16 -","2","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.144","0.0635","","","0.1123","0.1438","","","","","","0.976","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055238","11.838","0.0004","12.3065","0.0004","20.7813","0.0008","99.315","0.003","99.81","0.003","95.905","0.003","2917.29","0.18","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H88 Br Mo6 N3 O18 -","- C44 H88 Br Mo6 N3 O18 -","- C88 H176 Br2 Mo12 N6 O36 -","2","1","","Jangir, Ritambhara; Antony, Rajendran; Murugavel, Ramaswamy","New sterically encumbered arylimido hexamolybdates for organic oxidation reactions","New J. Chem.","2016","40","2","1004","","10.1039/C5NJ02330K","","","1.5418","CuKα","","0.0322","0.0304","","","0.0773","0.0786","","","","","","1.088","","","","has coordinates","177893","2020-10-21","18:00:00",""
"7055239","16.201","0.004","19.611","0.005","22.481","0.006","98.01","0.05","96.77","0.04","90.14","0.06","7022","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H104 Br2 Mo6 N4 O17 -","- C56 H104 Br2 Mo6 N4 O17 -","- C224 H416 Br8 Mo24 N16 O68 -","4","2","","Jangir, Ritambhara; Antony, Rajendran; Murugavel, Ramaswamy","New sterically encumbered arylimido hexamolybdates for organic oxidation reactions","New J. Chem.","2016","40","2","1004","","10.1039/C5NJ02330K","","","0.71073","MoKα","","0.0683","0.0529","","","0.1411","0.1533","","","","","","1.088","","","","has coordinates,has disorder","177893","2020-10-21","18:00:00",""
"7055240","23.8986","0.0005","15.7862","0.0002","20.1555","0.0005","90","","112.883","0.002","90","","7005.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H105.54 Mo6 N4 O18 -","- C56 H105.543 Mo6 N4 O18 -","- C224 H422.172 Mo24 N16 O72 -","4","1","","Jangir, Ritambhara; Antony, Rajendran; Murugavel, Ramaswamy","New sterically encumbered arylimido hexamolybdates for organic oxidation reactions","New J. Chem.","2016","40","2","1004","","10.1039/C5NJ02330K","","","1.54184","CuKα","","0.0879","0.0546","","","0.1372","0.1565","","","","","","0.967","","","","has coordinates,has disorder","177893","2020-10-21","18:00:00",""
"7055241","23.078","0.005","11.26","0.0018","17.936","0.004","90","","118.626","0.005","90","","4091.1","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3'-(4-methoxyphenyl)-4'-nitro-5'-phenylspiro[indoline-3,2'-pyrrolidin]-2-one","","- C24 H21 N3 O4 -","- C24 H21 N3 O4 -","- C192 H168 N24 O32 -","8","1","","Mali, Prakash R.; Chandrasekhara Rao, L.; Bangade, Vikas M.; Shirsat, Prashishkumar K.; George, Sara A.; Jagadeesh babu, N.; Meshram, H. M.","A convenient and rapid microwave-assisted synthesis of spirooxindoles in aqueous medium and their antimicrobial activities","New J. Chem.","2016","40","3","2225","","10.1039/C5NJ02126J","","","0.71073","MoKα","","0.0603","0.0468","","","0.1269","0.1387","","","","","","1.047","","","","has coordinates,has disorder","181770","2020-10-21","18:00:00",""
"7055242","16.515","0.002","45.244","0.007","7.7842","0.0011","90","","92.294","0.003","90","","5811.7","1.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 -","- C23 H24 N2 -","- C276 H288 N24 -","12","3","","Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE","New J. Chem.","2016","40","3","2071","","10.1039/C5NJ02151K","","","0.71073","MoKα","","0.135","0.0754","","","0.1494","0.1746","","","","","","1.053","","","","has coordinates","181771","2020-10-21","18:00:00",""
"7055243","10.2174","0.001","10.6434","0.001","19.4065","0.0018","77.176","0.002","80.422","0.002","66.226","0.002","1876.1","0.3","185","2","185","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H50 N4 -","- C44 H50 N4 -","- C88 H100 N8 -","2","1","","Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE","New J. Chem.","2016","40","3","2071","","10.1039/C5NJ02151K","","","0.71073","MoKα","","0.1172","0.0681","","","0.155","0.1905","","","","","","1.028","","","","has coordinates","181771","2020-10-21","18:00:00",""
"7055244","10.7714","0.0008","11.1493","0.0008","19.3176","0.0014","100.572","0.001","101.732","0.001","104.877","0.001","2126.1","0.3","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H49 Cl3 N4 Ti -","- C44.5 H49 Cl3 N4 Ti -","- C89 H98 Cl6 N8 Ti2 -","2","1","","Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE","New J. Chem.","2016","40","3","2071","","10.1039/C5NJ02151K","","","0.71073","MoKα","","0.0756","0.0573","","","0.1404","0.1612","","","","","","1.066","","","","has coordinates","181771","2020-10-21","18:00:00",""
"7055245","10.8808","0.0013","11.226","0.0013","19.417","0.002","100.183","0.002","103.09","0.002","104.971","0.002","2160.8","0.4","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H49 Cl3 N4 Zr -","- C44.5 H49 Cl3 N4 Zr -","- C89 H98 Cl6 N8 Zr2 -","2","1","","Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE","New J. Chem.","2016","40","3","2071","","10.1039/C5NJ02151K","","","0.71073","MoKα","","0.1317","0.0844","","","0.2013","0.2403","","","","","","1.07","","","","has coordinates","181771","2020-10-21","18:00:00",""
"7055246","10.9945","0.0007","11.1586","0.0007","19.4967","0.0013","98.036","0.001","104.963","0.001","105.193","0.001","2174.1","0.2","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H53 Cl2 Hf N4 -","- C47.5 H53 Cl2 Hf N4 -","- C95 H106 Cl4 Hf2 N8 -","2","1","","Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying","Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE","New J. Chem.","2016","40","3","2071","","10.1039/C5NJ02151K","","","0.71073","MoKα","","0.04","0.0344","","","0.086","0.0981","","","","","","1.104","","","","has coordinates","181771","2020-10-21","18:00:00",""
"7055247","11.6472","0.0015","11.6472","0.0015","19.117","0.002","90","","90","","120","","2245.9","0.5","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- Cs3 H20 Na Nb2 O29 W4 -","- Cs3 Na Nb2.001 O29 W3.999 -","- Cs9 Na3 Nb6.003 O87 W11.997 -","3","0.333333","","Sures, Dylan J.; Molina, Pedro I.; Miró, Pere; Zakharov, Lev N.; Nyman, May","Cesium salts of niobo-tungstate isopolyanions with intermediate group V‒group VI character","New J. Chem.","2016","40","2","928","","10.1039/C5NJ02914G","","","0.71073","MoKα","","0.0497","0.0325","","","0.0537","0.0581","","","","","","1.006","","","","has coordinates","177894","2020-10-21","18:00:00",""
"7055248","9.6119","0.0008","11.8087","0.001","11.2532","0.0009","90","","90.929","0.004","90","","1277.12","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs4 H8 Nb1.97 O23 W4.03 -","- Cs4 Nb1.966 O23 W4.034 -","- Cs8 Nb3.932 O46 W8.068 -","2","0.5","","Sures, Dylan J.; Molina, Pedro I.; Miró, Pere; Zakharov, Lev N.; Nyman, May","Cesium salts of niobo-tungstate isopolyanions with intermediate group V‒group VI character","New J. Chem.","2016","40","2","928","","10.1039/C5NJ02914G","","","0.71073","MoKα","","0.0897","0.0468","","","0.0869","0.1037","","","","","","1.016","","","","has coordinates,has disorder","177894","2020-10-21","18:00:00",""
"7055249","9.576","0.0003","13.5844","0.0004","12.3503","0.0004","90","","90.079","0.0012","90","","1606.58","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cs4 H24 Na2 Nb3.89 O31 W2.11 -","- Cs4 H24 Na2 Nb3.896 O31 W2.104 -","- Cs8 H48 Na4 Nb7.792 O62 W4.208 -","2","0.5","","Sures, Dylan J.; Molina, Pedro I.; Miró, Pere; Zakharov, Lev N.; Nyman, May","Cesium salts of niobo-tungstate isopolyanions with intermediate group V‒group VI character","New J. Chem.","2016","40","2","928","","10.1039/C5NJ02914G","","","0.71073","MoKα","","0.0318","0.031","","","0.0917","0.0921","","","","","","1.261","","","","has coordinates","177894","2020-10-21","18:00:00",""
"7055250","7.5074","0.0006","15.984","0.0013","23.982","0.002","90","","96.482","0.003","90","","2859.4","0.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 Cl2 N4 Ni2 O10 -","- C21 H36 Cl2 N4 Ni2 O10 -","- C84 H144 Cl8 N16 Ni8 O40 -","4","1","","Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis","Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction","New J. Chem.","2016","40","3","2268","","10.1039/C5NJ02410B","","","0.71073","MoKα","","0.1263","0.0863","","","0.2066","0.228","","","","","","1.116","","","","has coordinates","181773","2020-10-21","18:00:00",""
"7055251","11.6655","0.0001","16.9475","0.0001","22.7678","0.0002","74.219","0.0004","87.0926","0.0004","75.704","0.0004","4196.77","0.06","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 F9 N5 Ni2 O10 -","- C30 H46 F9 N5 Ni2 O10 -","- C120 H184 F36 N20 Ni8 O40 -","4","2","","Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis","Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction","New J. Chem.","2016","40","3","2268","","10.1039/C5NJ02410B","","","0.71073","MoKα","","0.0857","0.0618","","","0.1803","0.1964","","","","","","1.058","","","","has coordinates","181773","2020-10-21","18:00:00",""
"7055252","19.664","0.003","11.6297","0.0018","20.591","0.003","90","","117.27","0.004","90","","4185.5","1.1","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H61 Cl N6 Ni2 O12 -","- C33 H61 Cl N6 Ni2 O12 -","- C132 H244 Cl4 N24 Ni8 O48 -","4","1","","Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis","Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction","New J. Chem.","2016","40","3","2268","","10.1039/C5NJ02410B","","","0.71073","MoKα","","0.0499","0.0377","","","0.0969","0.1046","","","","","","1.05","","","","has coordinates,has disorder","181773","2020-10-21","18:00:00",""
"7055253","17.461","0.003","67.604","0.009","12.0678","0.0017","90","","90","","90","","14245","4","295","","295","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H45 N7 Ni2 O4 S2 -","- C28 H45 N7 Ni2 O4 S2 -","- C448 H720 N112 Ni32 O64 S32 -","16","1","","Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis","Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction","New J. Chem.","2016","40","3","2268","","10.1039/C5NJ02410B","","","0.71073","MoKα","","0.1745","0.0874","","","0.1206","0.1526","","","","","","1.13","","","","has coordinates,has disorder","181773","2020-10-21","18:00:00",""
"7055254","10.3693","0.0009","35.46","0.003","18.8761","0.0015","90","","104.288","0.002","90","","6726","1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 N11 Ni2 O4 -","- C26 H45 N11 Ni2 O4 -","- C208 H360 N88 Ni16 O32 -","8","2","","Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis","Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction","New J. Chem.","2016","40","3","2268","","10.1039/C5NJ02410B","","","0.71073","MoKα","","0.1014","0.0578","","","0.1386","0.1679","","","","","","1.039","","","","has coordinates,has disorder","181773","2020-10-21","18:00:00",""
"7055255","15.295","0.005","15.295","0.005","19.43","0.005","90","0.005","90","0.005","90","0.005","4545","2","298","2","298.15","","","","","","","","","8","I 4/m","-I 4","87","","1","","- C24 H95 As Cu4 N16 Nb12 O52 V4 -","- C24 H80 As Cu4 N16 Nb12 O52 V4 -","- C48 H160 As2 Cu8 N32 Nb24 O104 V8 -","2","0.125","","Li, Ning; Liu, Yiwei; Lu, Ying; He, Danfeng; Liu, Shumei; Wang, Xingquan; Li, Yangguang; Liu, Shuxia","An arsenicniobate-based 3D framework with selective adsorption and anion-exchange properties","New J. Chem.","2016","40","3","2220","","10.1039/C5NJ02163D","","","0.71069","MoKα","","0.0611","0.0544","","","0.1863","0.1956","","","","","","1.051","","","","has coordinates,has disorder","181774","2020-10-21","18:00:00",""
"7055256","7.8007","0.0006","10.7877","0.0005","20.2847","0.0016","90","","91.562","0.007","90","","1706.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N4 O5 -","- C15 H21 N4 O5 -","- C60 H84 N16 O20 -","4","1","","Ionita, Gabriela; Madalan, Augustin M.; Ariciu, Ana Maria; Medvedovici, Andrei; Ionita, Petre","Synthesis of novel TEMPO stable free (poly)radical derivatives and their host‒guest interaction with cucurbit[6]uril","New J. Chem.","2016","40","1","503","","10.1039/C5NJ01518A","","","0.71073","MoKα","","0.1063","0.0479","","","0.0985","0.1162","","","","","","0.973","","","","has coordinates","173500","2020-10-21","18:00:00",""
"7055257","7.0768","0.0007","25.637","0.004","10.7812","0.0011","90","","101.712","0.008","90","","1915.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 N4 O5 -","- C16 H25 N4 O5 -","- C64 H100 N16 O20 -","4","1","","Ionita, Gabriela; Madalan, Augustin M.; Ariciu, Ana Maria; Medvedovici, Andrei; Ionita, Petre","Synthesis of novel TEMPO stable free (poly)radical derivatives and their host‒guest interaction with cucurbit[6]uril","New J. Chem.","2016","40","1","503","","10.1039/C5NJ01518A","","","0.71073","MoKα","","0.2069","0.0451","","","0.0432","0.0687","","","","","","0.724","","","","has coordinates","173500","2020-10-21","18:00:00",""
"7055258","10.3872","0.0006","14.4087","0.001","18.44","0.001","95.95","0.02","102","0.014","109.68","0.013","2496.2","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H50 B Cu F4 N4 O2 P2 -","- C57 H50 B Cu F4 N4 O2 P2 -","- C114 H100 B2 Cu2 F8 N8 O4 P4 -","2","1","","Liu, Xinfang; Li, Rongfang; Ma, Lufang; Feng, Xun; Ding, Yuqiang","Influences of the protonic state of an imidazole-phenanthroline ligand on the luminescence properties of copper(i) complexes: experimental and theoretical research","New J. Chem.","2016","40","1","619","","10.1039/C5NJ02100F","","","0.71073","MoKα","","0.1065","0.0762","","","0.1523","0.1703","","","","","","1.087","","","","has coordinates,has disorder","173501","2020-10-21","18:00:00",""
"7055259","13.0549","0.0002","13.6031","0.0002","14.2237","0.0002","73.079","0.001","75.249","0.001","87.895","0.001","2335.03","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H43 Cu N4 O2 P2 -","- C56 H43 Cu N4 O2 P2 -","- C112 H86 Cu2 N8 O4 P4 -","2","1","","Liu, Xinfang; Li, Rongfang; Ma, Lufang; Feng, Xun; Ding, Yuqiang","Influences of the protonic state of an imidazole-phenanthroline ligand on the luminescence properties of copper(i) complexes: experimental and theoretical research","New J. Chem.","2016","40","1","619","","10.1039/C5NJ02100F","","","0.71073","MoKα","","0.0459","0.0387","","","0.0974","0.1039","","","","","","1.056","","","","has coordinates,has disorder","173501","2020-10-21","18:00:00",""
"7055260","19.491","0.004","25.892","0.005","8.9679","0.0018","90","","90","","90","","4525.7","1.6","223.15","","223.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C56 H43 Cu N4 P2 -","- C56 H43 Cu N4 P2 -","- C224 H172 Cu4 N16 P8 -","4","1","","Liu, Xinfang; Li, Rongfang; Ma, Lufang; Feng, Xun; Ding, Yuqiang","Influences of the protonic state of an imidazole-phenanthroline ligand on the luminescence properties of copper(i) complexes: experimental and theoretical research","New J. Chem.","2016","40","1","619","","10.1039/C5NJ02100F","","","0.71073","MoKα","","0.1352","0.0805","","","0.1693","0.2007","","","","","","0.95","","","","has coordinates","173501","2020-10-21","18:00:00",""
"7055261","12.143","0.0013","14.0076","0.0014","14.3167","0.0014","107.833","0.002","93.586","0.002","92.363","0.002","2309","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Cu2 N4 O12 P4 -","- C48 H40 Cu2 N4 O12 P4 -","- C96 H80 Cu4 N8 O24 P8 -","2","1","","Zhu, Yan-Yu; Wang, Mei-Ling; Ma, Ming-Xue; Sun, Zhen-Gang; Jiao, Cheng-Qi; Ma, Chao; Li, Huan-Yu","Transition metal phosphonates with supramolecular structures: syntheses, structures, surface photovoltage and luminescence properties","New J. Chem.","2016","40","1","578","","10.1039/C5NJ02417J","","","0.71073","MoKα","","0.0761","0.0475","","","0.1204","0.139","","","","","","1.016","","","","has coordinates,has disorder","173502","2020-10-21","18:00:00",""
"7055262","11.1636","0.0006","11.3733","0.0006","11.8809","0.0006","105.563","0.001","114.973","0.001","103.195","0.001","1212.38","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 N2 O6 P2 Zn -","- C24 H20 N2 O6 P2 Zn -","- C48 H40 N4 O12 P4 Zn2 -","2","1","","Zhu, Yan-Yu; Wang, Mei-Ling; Ma, Ming-Xue; Sun, Zhen-Gang; Jiao, Cheng-Qi; Ma, Chao; Li, Huan-Yu","Transition metal phosphonates with supramolecular structures: syntheses, structures, surface photovoltage and luminescence properties","New J. Chem.","2016","40","1","578","","10.1039/C5NJ02417J","","","0.71073","MoKα","","0.0319","0.0266","","","0.0666","0.0698","","","","","","1.042","","","","has coordinates","173502","2020-10-21","18:00:00",""
"7055263","13.0305","0.0008","14.3151","0.0009","17.8602","0.001","90","","111.826","0.004","90","","3092.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Mn N2 O9 P3 -","- C30 H27 Mn N2 O9 P3 -","- C120 H108 Mn4 N8 O36 P12 -","4","1","","Zhu, Yan-Yu; Wang, Mei-Ling; Ma, Ming-Xue; Sun, Zhen-Gang; Jiao, Cheng-Qi; Ma, Chao; Li, Huan-Yu","Transition metal phosphonates with supramolecular structures: syntheses, structures, surface photovoltage and luminescence properties","New J. Chem.","2016","40","1","578","","10.1039/C5NJ02417J","","","0.71073","MoKα","","0.0478","0.0321","","","0.0813","0.0901","","","","","","1.015","","","","has coordinates,has disorder","173502","2020-10-21","18:00:00",""
"7055264","13.1419","0.0006","14.4775","0.0007","17.4996","0.0008","90","","110.441","0.001","90","","3119.9","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cd N2 O9 P3 -","- C30 H27 Cd N2 O9 P3 -","- C120 H108 Cd4 N8 O36 P12 -","4","1","","Zhu, Yan-Yu; Wang, Mei-Ling; Ma, Ming-Xue; Sun, Zhen-Gang; Jiao, Cheng-Qi; Ma, Chao; Li, Huan-Yu","Transition metal phosphonates with supramolecular structures: syntheses, structures, surface photovoltage and luminescence properties","New J. Chem.","2016","40","1","578","","10.1039/C5NJ02417J","","","0.71073","MoKα","","0.0444","0.0318","","","0.0729","0.0804","","","","","","1.021","","","","has coordinates","173502","2020-10-21","18:00:00",""
"7055265","6.534","0.0001","25.7728","0.0005","8.4563","0.0006","90","","97.402","0.007","90","","1412.17","0.11","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","","Bloomfield, Aaron J.; Chaudhuri, Subhajyoti; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.","Facile solvolysis of a surprisingly twisted tertiary amide","New J. Chem.","2016","40","3","1974","","10.1039/C5NJ02449H","","","0.71075","MoKα","","0.0506","0.0414","","","0.1033","0.1081","","","","","","1.145","","","","has coordinates","181769","2020-10-21","18:00:00",""
"7055266","7.1666","0.0008","10.518","0.0012","20.8","0.003","75.729","0.005","82.329","0.006","82.895","0.006","1499.1","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","2","","Bloomfield, Aaron J.; Chaudhuri, Subhajyoti; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.","Facile solvolysis of a surprisingly twisted tertiary amide","New J. Chem.","2016","40","3","1974","","10.1039/C5NJ02449H","","","0.71075","MoKα","","0.1399","0.0837","","","0.1191","0.1324","","","","","","1.13","","","","has coordinates","181769","2020-10-21","18:00:00",""
"7055267","7.3641","0.0007","13.8244","0.0019","16.9502","0.0019","90","","90","","90","","1725.6","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Au Cl N2 -","- C6 H10 Au Cl N2 -","- C48 H80 Au8 Cl8 N16 -","8","1","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.0634","0.0357","","","0.0629","0.0709","","","","","","1.021","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055268","8.4029","0.0005","20.7542","0.0011","13.5645","0.0008","90","","99.439","0.002","90","","2333.6","0.2","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H20 Au N5 O3 -","- C12 H20.3333 Au N5 O3 -","- C72 H122 Au6 N30 O18 -","6","1.5","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.0365","0.0323","","","0.0767","0.0787","","","","","","1.117","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055269","8.5936","0.0014","13.854","0.002","14.342","0.002","77.941","0.002","82.224","0.003","77.872","0.003","1625.1","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Au B F4 N4 -","- C12 H20 Au B F4 N4 -","- C48 H80 Au4 B4 F16 N16 -","4","2","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.0387","0.0314","","","0.0768","0.08","","","","","","1.082","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055270","7.45","0.002","7.938","0.002","8.481","0.003","89.041","0.007","84.027","0.007","68.263","0.005","463.2","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Au F6 N4 Sb -","- C12 H20 Au F6 N4 Sb -","- C12 H20 Au F6 N4 Sb -","1","0.5","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.058","0.0531","","","0.1368","0.141","","","","","","1.158","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055271","6.6824","0.0004","8.2695","0.0005","17.5884","0.001","90","","90.01","0.002","90","","971.94","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Au2 Cl4 N4 -","- C12 H20 Au2 Cl4 N4 -","- C24 H40 Au4 Cl8 N8 -","2","0.5","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.064","0.0288","","","0.0517","0.062","","","","","","1.037","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055272","12.365","0.009","15.377","0.011","7.396","0.005","90","","104.715","0.008","90","","1360.1","1.7","110.15","","110.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide","","- C13 H16 N4 O2 S -","- C13 H16 N4 O2 S -","- C52 H64 N16 O8 S4 -","4","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0469","0.0384","","","0.093","0.0974","","","","","","1.034","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055273","21.514","0.019","9.287","0.007","15.869","0.012","90","","107.718","0.014","90","","3020","4","110.15","","110.15","","","","","","","","433K","5","C 1 2/c 1","-C 2yc","15","","(Z)-N'-(1-allyl-2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide","","- C16 H18 N4 O S -","- C16 H18 N4 O S -","- C128 H144 N32 O8 S8 -","8","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0531","0.0385","","","0.0847","0.092","","","","","","1.031","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055274","8.009","0.0017","19.621","0.004","11.51","0.003","90","","94.636","0.002","90","","1802.8","0.7","110.15","","110.15","","","","","","","","METHANOL / ACEONITRILE","5","P 1 21/n 1","-P 2yn","14","","N'-(1-benzyl-2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide","","- C20 H20 N4 O S -","- C20 H20 N4 O S -","- C80 H80 N16 O4 S4 -","4","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0553","0.0404","","","0.0886","0.0962","","","","","","1.023","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055275","8.352","0.006","8.874","0.006","13.617","0.009","79.406","0.007","81.424","0.007","64.639","0.007","893.6","1.1","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","N'-(2-oxo-1-pentylindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide","","- C18 H24 N4 O S -","- C18 H24 N4 O S -","- C36 H48 N8 O2 S2 -","2","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0731","0.0501","","","0.1176","0.1284","","","","","","1.062","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055276","21.496","0.008","9.118","0.003","15.908","0.005","90","","108.156","0.006","90","","2962.7","1.7","110.15","","110.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N'-(2-oxo-1-(prop-2-yn-1-yl)indolin-3-ylidene)pyrrolidine-1-carbothiohydrazide","","- C16 H16 N4 O S -","- C16 H16 N4 O S -","- C128 H128 N32 O8 S8 -","8","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0345","0.0304","","","0.0748","0.0777","","","","","","1.023","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055277","8.984","0.003","9.757","0.004","10.524","0.004","105.822","0.004","98.341","0.004","108.844","0.004","812","0.5","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","N'-(1-allyl-2-oxoindolin-3-ylidene)pyrrolidine-1-carbothiohydrazide) copper(II) complex","","- C16 H17 Cl Cu N4 O S -","- C16 H17 Cl Cu N4 O S -","- C32 H34 Cl2 Cu2 N8 O2 S2 -","2","1","","Muralisankar, Mathiyan; Bhuvanesh, Nattamai S. P.; Sreekanth, Anandaram","Synthesis, X-ray crystal structure, DNA/protein binding and DNA cleavage studies of novel copper(ii) complexes of N-substituted isatin thiosemicarbazone ligands","New J. Chem.","2016","40","3","2661","","10.1039/C5NJ02806J","","","0.71073","MoKα","","0.0382","0.0333","","","0.0879","0.0913","","","","","","1.063","","","","has coordinates","181760","2020-10-21","18:00:00",""
"7055278","6.7997","0.0005","9.5387","0.0008","24.3565","0.0019","90","","95.512","0.008","90","","1572.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pyridazine hydrazine compound","","- C15 H18 Cl N5 O -","- C15 H18 Cl N5 O -","- C60 H72 Cl4 N20 O4 -","4","1","","Rafi, Ummer Muhammed; Mahendiran, Dharmasivam; Haleel, Azees Khan; Nankar, Rakesh Pandeet; Doble, Mukesh; Rahiman, Aziz Kalilur","New pyridazine-based binuclear nickel(ii), copper(ii) and zinc(ii) complexes as prospective anticancer agents","New J. Chem.","2016","40","3","2451","","10.1039/C5NJ02739J","","","0.71073","MoKα","","0.153","0.0873","","","0.1891","0.215","","","","","","1.085","","","","has coordinates","181766","2020-10-21","18:00:00",""
"7055279","14.964","0.008","24.495","0.014","15.987","0.009","90","","109.982","0.006","90","","5507","5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H100 F12 Ir4 N12 O16 S4 -","- C104 H100 F12 Ir4 N12 O16 S4 -","- C208 H200 F24 Ir8 N24 O32 S8 -","2","0.5","","Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Wei, Xianwen","Heterogeneous catalysis of water oxidation supported by a novel metallamacrocycle","New J. Chem.","2016","40","3","2354","","10.1039/C5NJ02931G","","","0.71073","MoKα","","0.1351","0.0832","","","0.2069","0.2374","","","","","","0.855","","","","has coordinates","181772","2020-10-21","18:00:00",""
"7055280","14.94","0.004","24.403","0.006","15.917","0.004","90","","109.611","0.003","90","","5466","2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H100 F12 N12 O16 Rh4 S4 -","- C104 H100 F12 N12 O16 Rh4 S4 -","- C208 H200 F24 N24 O32 Rh8 S8 -","2","0.5","","Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Wei, Xianwen","Heterogeneous catalysis of water oxidation supported by a novel metallamacrocycle","New J. Chem.","2016","40","3","2354","","10.1039/C5NJ02931G","","","0.71073","MoKα","","0.1206","0.072","","","0.1871","0.2075","","","","","","1.096","","","","has coordinates","181772","2020-10-21","18:00:00",""
"7055281","8.5367","0.0004","10.2206","0.0005","16.4268","0.0008","90","","93.899","0.001","90","","1429.92","0.12","270","","270","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0581","0.0362","","","0.0845","0.0929","","","","","","1.034","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055282","8.5008","0.0003","10.1744","0.0004","16.3606","0.0006","90","","93.684","0.001","90","","1412.11","0.09","210","","210","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0484","0.032","","","0.0767","0.0835","","","","","","1.044","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055283","8.429","0.0004","10.0626","0.0005","16.2671","0.0008","90","","93.402","0.001","90","","1377.31","0.12","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0507","0.0335","","","0.076","0.0824","","","","","","1.034","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055284","8.3913","0.0004","10.0025","0.0005","16.2339","0.0008","90","","93.321","0.001","90","","1360.29","0.12","165","","165","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0469","0.0311","","","0.0697","0.0755","","","","","","1.022","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055285","8.377","0.0009","9.982","0.0011","16.1977","0.0017","90","","93.306","0.002","90","","1352.2","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0413","0.0293","","","0.07","0.0752","","","","","","1.043","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055286","8.3636","0.0008","9.9597","0.001","16.1984","0.0016","90","","93.114","0.002","90","","1347.3","0.2","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0463","0.0328","","","0.0762","0.0813","","","","","","1.04","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055287","8.3411","0.0004","9.9442","0.0005","16.1668","0.0008","90","","93.112","0.001","90","","1338.99","0.11","30","","30","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.051","0.0341","","","0.0797","0.0859","","","","","","1.04","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055288","8.4505","0.0004","10.1273","0.0005","16.3033","0.0008","90","","93.491","0.001","90","","1392.66","0.12","30","","30","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.71073","MoKα","K-L~3~","0.0388","0.0311","","","0.0727","0.0758","","","","","","1.049","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055289","8.552","0.003","10.236","0.006","16.444","0.006","90","","93.978","0.011","90","","1436","1.1","296.15","0.02","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isothiocyanato)-iron(II)","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.56086","AgKα","","0.0616","0.043","","","0.0987","0.1098","","","","","","1.13","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055290","8.484","0.002","10.159","0.005","16.253","0.005","90","","93.894","0.012","90","","1397.6","0.9","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isothiocyanato)-iron(II)","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.56086","AgKα","","0.0428","0.0277","","","0.0561","0.062","","","","","","1.055","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055291","8.344","0.0015","9.955","0.003","15.96","0.003","90","","93.414","0.007","90","","1323.4","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isothiocyanato)-iron(II)","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Li, Wei; Carpenter, Michael A.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","Structural and spectroscopic characterisation of the spin crossover in [Fe(abpt)2(NCS)2] polymorph A","New J. Chem.","2016","40","3","2466","","10.1039/C5NJ02359A","","x-ray","0.56086","AgKα","","0.031","0.0229","","","0.0492","0.053","","","","","","1.052","","","","has coordinates","181752","2020-10-21","18:00:00",""
"7055292","8.908","0.0008","10.6498","0.001","14.862","0.0015","90","","96.901","0.002","90","","1399.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl2 Co N8 -","- C30 H24 Cl2 Co N8 -","- C60 H48 Cl4 Co2 N16 -","2","0.5","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.0441","0.0342","","","0.0838","0.0892","","","","","","1.038","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055293","8.348","0.001","10.8244","0.0013","12.3168","0.0015","71.218","0.003","74.121","0.003","68.217","0.003","963.3","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 Cl2 Co N4 O4 -","- C15 H20 Cl2 Co N4 O4 -","- C30 H40 Cl4 Co2 N8 O8 -","2","1","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.0637","0.0441","","","0.1111","0.1195","","","","","","1.032","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055294","8.933","0.002","10.599","0.002","14.768","0.003","90","","96.79","0.011","90","","1388.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl2 N8 Ni -","- C30 H24 Cl2 N8 Ni -","- C60 H48 Cl4 N16 Ni2 -","2","0.5","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.1266","0.0567","","","0.1172","0.1338","","","","","","0.921","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055295","29.0224","0.0014","12.4346","0.0008","21.629","0.002","90","","124.944","0.002","90","","6398.3","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl2 N8 Pd -","- C30 H24 Cl2 N8 Pd -","- C240 H192 Cl16 N64 Pd8 -","8","1","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.0656","0.049","","","0.1261","0.1329","","","","","","1.079","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055296","10.034","0.003","10.625","0.003","10.67","0.003","85.207","0.009","76.725","0.01","89.439","0.009","1103.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N4 O4 Pd -","- C19 H18 N4 O4 Pd -","- C38 H36 N8 O8 Pd2 -","2","1","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.0452","0.0382","","","0.0978","0.1001","","","","","","1.057","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055297","8.8396","0.0004","10.93","0.0006","11.5282","0.0006","111.805","0.001","97.545","0.001","96.291","0.001","1009.89","0.09","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N4 O5 Pd -","- C19 H20 N4 O5 Pd -","- C38 H40 N8 O10 Pd2 -","2","1","","Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio","Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization","New J. Chem.","2016","40","7","5695","","10.1039/C5NJ03135D","","","0.71073","MoKα","","0.0264","0.0227","","","0.059","0.0609","","","","","","1.05","","","","has coordinates","185565","2020-10-21","18:00:00",""
"7055298","6.9512","0.0004","29.5028","0.0018","7.4215","0.0005","90","","108.876","0.006","90","","1440.15","0.16","120","0.1","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","","Yousef Ebrahimipour, S.; Sheikhshoaie, Iran; Simpson, Jim; Ebrahimnejad, Hadi; Dusek, Michal; Kharazmi, Nima; Eigner, Vaclav","Antimicrobial activity of aroylhydrazone-based oxido vanadium(v) complexes: in vitro and in silico studies","New J. Chem.","2016","40","3","2401","","10.1039/C5NJ02594J","","x-ray","1.54184","CuKα","","0.0428","0.0356","","","0.0953","0.1035","","","","1.24","1.24","1.21","","","","has coordinates","181762","2020-10-21","18:00:00",""
"7055299","17.8457","0.0018","5.9203","0.0005","18.1622","0.0013","90","","110.679","0.008","90","","1795.2","0.3","120","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O4 V -","- C20 H17 N2 O4 V -","- C80 H68 N8 O16 V4 -","4","1","","Yousef Ebrahimipour, S.; Sheikhshoaie, Iran; Simpson, Jim; Ebrahimnejad, Hadi; Dusek, Michal; Kharazmi, Nima; Eigner, Vaclav","Antimicrobial activity of aroylhydrazone-based oxido vanadium(v) complexes: in vitro and in silico studies","New J. Chem.","2016","40","3","2401","","10.1039/C5NJ02594J","","x-ray","1.54184","CuKα","","0.07","0.051","","","0.1177","0.132","","","","1.35","1.35","1.28","","","","has coordinates","181762","2020-10-21","18:00:00",""
"7055300","34.6714","0.0016","6.0918","0.0003","17.8955","0.0005","90","","97.143","0.003","90","","3750.4","0.3","120","0.1","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N2 O4 V -","- C21 H19 N2 O4 V -","- C168 H152 N16 O32 V8 -","8","1","","Yousef Ebrahimipour, S.; Sheikhshoaie, Iran; Simpson, Jim; Ebrahimnejad, Hadi; Dusek, Michal; Kharazmi, Nima; Eigner, Vaclav","Antimicrobial activity of aroylhydrazone-based oxido vanadium(v) complexes: in vitro and in silico studies","New J. Chem.","2016","40","3","2401","","10.1039/C5NJ02594J","","x-ray","1.54184","CuKα","","0.0592","0.0385","","","0.0887","0.1001","","","","1.2","1.2","1.14","","","","has coordinates","181762","2020-10-21","18:00:00",""
"7055301","12.797","0.0008","7.84","0.0004","19.3207","0.0013","90","","104.308","0.005","90","","1878.3","0.2","121","2","121","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N2 O5 V -","- C20 H19 N2 O5 V -","- C80 H76 N8 O20 V4 -","4","1","","Yousef Ebrahimipour, S.; Sheikhshoaie, Iran; Simpson, Jim; Ebrahimnejad, Hadi; Dusek, Michal; Kharazmi, Nima; Eigner, Vaclav","Antimicrobial activity of aroylhydrazone-based oxido vanadium(v) complexes: in vitro and in silico studies","New J. Chem.","2016","40","3","2401","","10.1039/C5NJ02594J","","x-ray","0.71073","MoKα","","0.0378","0.0324","","","0.0969","0.1007","","","","1.88","1.88","1.83","","","","has coordinates","181762","2020-10-21","18:00:00",""
"7055302","11.2437","0.0005","15.033","0.0008","23.3412","0.0011","90","","90","","90","","3945.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H39 N3 Pt -","- C49 H39 N3 Pt -","- C196 H156 N12 Pt4 -","4","1","","Zhang, Xiao-Peng; Liu, Fu-Qiang; Lai, Jian-Cheng; Li, Cheng-Hui; Li, Ai-Min; You, Xiao-Zeng","Novel redox responsive chiral cyclometalated platinum(ii) complexes with pinene functionalized C^N^N ligands","New J. Chem.","2016","40","3","2628","","10.1039/C5NJ02932E","","","0.71073","MoKα","","0.0283","0.0252","","","0.0624","0.0635","","","","","","1.042","","","","has coordinates,has disorder","181754","2020-10-21","18:00:00",""
"7055303","14.7779","0.0006","14.8743","0.0006","16.8574","0.0007","90","","90","","90","","3705.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H36 N2 Pt -","- C47 H36 N2 Pt -","- C188 H144 N8 Pt4 -","4","1","","Zhang, Xiao-Peng; Liu, Fu-Qiang; Lai, Jian-Cheng; Li, Cheng-Hui; Li, Ai-Min; You, Xiao-Zeng","Novel redox responsive chiral cyclometalated platinum(ii) complexes with pinene functionalized C^N^N ligands","New J. Chem.","2016","40","3","2628","","10.1039/C5NJ02932E","","","0.71073","MoKα","","0.0312","0.0269","","","0.0666","0.0682","","","","","","1.006","","","","has coordinates","181754","2020-10-21","18:00:00",""
"7055304","6.2864","0.0016","6.4124","0.0016","17.4","0.004","91.512","0.004","95.518","0.004","96.508","0.004","693.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H38 N4 S4 Tl2 -","- C22 H38 N4 S4 Tl2 -","- C22 H38 N4 S4 Tl2 -","1","0.5","","Ramalingam, Kuppukkannu; Rizzoli, Corrado; Sivagurunathan, Gurunathan Senthilkumar","Mono and trivalent thallium‒sulfur interactions and their influence on the formation of nano thallium sulphide: single crystal X-ray structural and spectral studies on thallium(i)/(iii)‒cyclohexylpiperazine dithiocarbamates","New J. Chem.","2016","40","3","2489","","10.1039/C5NJ02980E","","","0.71073","MoKα","","0.0928","0.0751","","","0.2208","0.2309","","","","","","1.045","","","","has coordinates,has disorder","181768","2020-10-21","18:00:00",""
"7055305","10.218","0.003","14.477","0.004","16.718","0.004","77.688","0.004","75.525","0.004","88.076","0.005","2338.9","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H63 N6 S6 Tl -","- C39 H63 N6 S6 Tl -","- C78 H126 N12 S12 Tl2 -","2","1","","Ramalingam, Kuppukkannu; Rizzoli, Corrado; Sivagurunathan, Gurunathan Senthilkumar","Mono and trivalent thallium–sulfur interactions and their influence on the formation of nano thallium sulphide: single crystal X-ray structural and spectral studies on thallium(i)/(iii)–cyclohexylpiperazine dithiocarbamates","New J. Chem.","2016","40","3","2489","","10.1039/C5NJ02980E","","","0.71073","MoKα","","0.0784","0.0449","","","0.1095","0.1269","","","","","","0.952","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055307","22.497","0.004","19.421","0.003","12.646","0.002","90","","90","","90","","5525.2","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H18 Cd N4 O4 -","- C18 H18 Cd N4 O4 -","- C144 H144 Cd8 N32 O32 -","8","1","","Tomar, Kapil; Gupta, Anoop K.; Gupta, Mayank","Change in synthetic strategy for MOF fabrication: from 2D non-porous to 3D porous architecture and its sorption and emission property studies","New J. Chem.","2016","40","3","1953","","10.1039/C5NJ03044G","","","0.71073","MoKα","","0.0633","0.0485","","","0.1241","0.1295","","","","","","1.056","","","","has coordinates,has disorder","181755","2020-10-21","18:00:00",""
"7055308","11.616","0.004","11.825","0.004","36.389","0.011","90","","90","","90","","4998","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H42 N10 O8 Zn2 -","- C54 H42 N10 O8 Zn2 -","- C216 H168 N40 O32 Zn8 -","4","1","","Cheng, Hong-Jian; Shen, Ya-Li; Lu, Yi-Feng; Ma, Ji; Ji, Hong-Wei; Yin, Wen-Yu; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin","Alkyl group-directed assembly of coordination polymers based on bis-(4-imidazol-1-yl-phenyl)-amine and their photocatalytic properties","New J. Chem.","2016","40","3","2479","","10.1039/C5NJ02760H","","","0.71073","MoKα","","0.0674","0.0562","","","0.1393","0.1508","","","","","","1.073","","","","has coordinates","181763","2020-10-21","18:00:00",""
"7055309","16.404","0.004","11.977","0.003","20.202","0.005","90","","94.188","0.005","90","","3958.5","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 Cd2 N5 O13 -","- C36 H37 Cd2 N5 O13 -","- C144 H148 Cd8 N20 O52 -","4","1","","Cheng, Hong-Jian; Shen, Ya-Li; Lu, Yi-Feng; Ma, Ji; Ji, Hong-Wei; Yin, Wen-Yu; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin","Alkyl group-directed assembly of coordination polymers based on bis-(4-imidazol-1-yl-phenyl)-amine and their photocatalytic properties","New J. Chem.","2016","40","3","2479","","10.1039/C5NJ02760H","","","0.71073","MoKα","","0.0497","0.0367","","","0.1129","0.1403","","","","","","1.067","","","","has coordinates","181763","2020-10-21","18:00:00",""
"7055310","12.0219","0.0008","11.4303","0.0008","23.9587","0.0015","90","","116.82","0.003","90","","2938.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N5 O6 Zn -","- C30 H31 N5 O6 Zn -","- C120 H124 N20 O24 Zn4 -","4","1","","Cheng, Hong-Jian; Shen, Ya-Li; Lu, Yi-Feng; Ma, Ji; Ji, Hong-Wei; Yin, Wen-Yu; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin","Alkyl group-directed assembly of coordination polymers based on bis-(4-imidazol-1-yl-phenyl)-amine and their photocatalytic properties","New J. Chem.","2016","40","3","2479","","10.1039/C5NJ02760H","","","0.71073","MoKα","","0.0694","0.0491","","","0.1402","0.1558","","","","","","1.036","","","","has coordinates,has disorder","181763","2020-10-21","18:00:00",""
"7055311","10.209","0.002","17.349","0.003","17.192","0.003","90","","96.73","0.03","90","","3024","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cd N5 O5 -","- C30 H29 Cd N5 O5 -","- C120 H116 Cd4 N20 O20 -","4","1","","Cheng, Hong-Jian; Shen, Ya-Li; Lu, Yi-Feng; Ma, Ji; Ji, Hong-Wei; Yin, Wen-Yu; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin","Alkyl group-directed assembly of coordination polymers based on bis-(4-imidazol-1-yl-phenyl)-amine and their photocatalytic properties","New J. Chem.","2016","40","3","2479","","10.1039/C5NJ02760H","","","0.71073","MoKα","","0.0744","0.0511","","","0.115","0.1239","","","","","","1.084","","","","has coordinates,has disorder","181763","2020-10-21","18:00:00",""
"7055312","11.84","0.005","10.52","0.005","23.1","0.005","90","0.005","96.951","0.005","90","0.005","2856.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O6 -","- C32 H30 N4 O6 -","- C128 H120 N16 O24 -","4","1","","Ghorai, Anupam; Mondal, Jahangir; Patra, Goutam K.","A new Schiff base and its metal complex as colorimetric and fluorescent‒colorimetric sensors for rapid detection of arginine","New J. Chem.","2016","40","9","7821","","10.1039/C5NJ02787J","","","0.71073","MoKα","","0.1756","0.0963","","","0.2211","0.286","","","","","","1.088","","","","has coordinates","186472","2020-10-21","18:00:00",""
"7055313","7.0612","0.0005","17.0603","0.0015","10.3203","0.001","90","","97.42","0.007","90","","1232.84","0.18","292.3","0.7","292.3","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N3 O3 -","- C10 H17 N3 O3 -","- C40 H68 N12 O12 -","4","1","","Wei, Tai-Bao; Zhu, Yuan-Rong; Li, Hui; Yan, Guo-Tao; Lin, Qi; Yao, Hong; Zhang, You-Ming","A reversible fluorescent chemosensor for the rapid sensing of CN−in water: utilization of the intramolecular charge transfer blocking","New J. Chem.","2016","40","3","2327","","10.1039/C5NJ02413G","","","0.71073","MoKα","","0.0979","0.0629","","","0.1739","0.2025","","","","","","1.102","","","","has coordinates","181767","2020-10-21","18:00:00",""
"7055321","18.1249","0.0007","12.1064","0.0005","17.7333","0.0007","90","","107.301","0.001","90","","3715.1","0.3","293","2","293.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C56 H75 Co6 N5 Na2 O39 -","- C56 H75 Co6 N5 Na2 O39 -","- C112 H150 Co12 N10 Na4 O78 -","2","0.5","","Liu, Sui-Jun; Han, Song-De; Chang, Ze; Bu, Xian-He","Cluster- and chain-based magnetic MOFs derived from 3d metal ions and 1,3,5-benzenetricarboxylate","New J. Chem.","2016","40","3","2680","","10.1039/C5NJ02161H","","","0.71075","MoKα","","0.0902","0.074","","","0.1756","0.188","","","","","","1.073","","","","has coordinates,has disorder","181775","2020-10-21","18:00:00",""
"7055322","9.787","0.002","12.157","0.002","15.182","0.003","90","","90","","90","","1806.4","0.6","293","2","293","","","","","","","","","4","I m m 2","I 2 -2","44","","","","- C18 H12 Ni3 O16 -","- C18 H12 Ni3 O16 -","- C36 H24 Ni6 O32 -","2","0.25","","Liu, Sui-Jun; Han, Song-De; Chang, Ze; Bu, Xian-He","Cluster- and chain-based magnetic MOFs derived from 3d metal ions and 1,3,5-benzenetricarboxylate","New J. Chem.","2016","40","3","2680","","10.1039/C5NJ02161H","","","0.71073","MoKα","","0.034","0.0323","","","0.0762","0.0769","","","","","","1.118","","","","has coordinates","181775","2020-10-21","18:00:00",""
"7055323","12.692","0.003","14.424","0.003","21.492","0.004","90","","90","","90","","3934.5","1.4","293","2","293","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C22 H12 Mn3 O16 -","- C22 H12 Mn3 O16 -","- C88 H48 Mn12 O64 -","4","0.5","","Liu, Sui-Jun; Han, Song-De; Chang, Ze; Bu, Xian-He","Cluster- and chain-based magnetic MOFs derived from 3d metal ions and 1,3,5-benzenetricarboxylate","New J. Chem.","2016","40","3","2680","","10.1039/C5NJ02161H","","","0.71073","MoKα","","0.1111","0.0852","","","0.173","0.1845","","","","","","1.151","","","","has coordinates,has disorder","181775","2020-10-21","18:00:00",""
"7055334","10.1629","0.0003","10.3262","0.0003","10.3488","0.0003","109.48","0.0008","116.368","0.0008","102.253","0.0009","829.7","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 I N5 Na S -","- C14 H13 I N5 Na S -","- C28 H26 I2 N10 Na2 S2 -","2","1","","Kleisath, Elizabeth; Yutronkie, Nathan J.; Korobkov, Ilia; Gabidullin, Bulat M.; Brusso, Jaclyn L.","Alkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine","New J. Chem.","2016","40","5","4472","","10.1039/C5NJ02611C","","","0.71073","MoKα","","0.0176","0.0167","","","0.0434","0.0439","","","","","","1.035","","","","has coordinates","183742","2020-10-21","18:00:00",""
"7055335","9.9995","0.0002","10.0313","0.0002","16.1233","0.0004","90","","90","","90","","1617.3","0.06","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 B F4 N5 S -","- C14 H14 B F4 N5 S -","- C56 H56 B4 F16 N20 S4 -","4","1","","Kleisath, Elizabeth; Yutronkie, Nathan J.; Korobkov, Ilia; Gabidullin, Bulat M.; Brusso, Jaclyn L.","Alkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine","New J. Chem.","2016","40","5","4472","","10.1039/C5NJ02611C","","","0.71073","MoKα","","0.0445","0.0424","","","0.1191","0.1211","","","","","","1.046","","","","has coordinates","183742","2020-10-21","18:00:00",""
"7055336","8.938","0.004","11.927","0.005","12.9","0.005","96.902","0.019","108.004","0.018","107.987","0.017","1208.1","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 F6 N5 O6 S3 -","- C17.0002 H17 F6.0006 N5 O6.0006 S3.0002 -","- C34.0004 H34 F12.0012 N10 O12.0012 S6.0004 -","2","1","","Kleisath, Elizabeth; Yutronkie, Nathan J.; Korobkov, Ilia; Gabidullin, Bulat M.; Brusso, Jaclyn L.","Alkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine","New J. Chem.","2016","40","5","4472","","10.1039/C5NJ02611C","","","0.71073","MoKα","","0.0685","0.0485","","","0.1266","0.1422","","","","","","1.026","","","","has coordinates,has disorder","183742","2020-10-21","18:00:00",""
"7055337","5.799","0.003","14.641","0.009","16.056","0.01","90","","90","","90","","1363.2","1.4","258","2","258","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N5 S -","- C14 H13 N5 S -","- C56 H52 N20 S4 -","4","1","","Kleisath, Elizabeth; Yutronkie, Nathan J.; Korobkov, Ilia; Gabidullin, Bulat M.; Brusso, Jaclyn L.","Alkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine","New J. Chem.","2016","40","5","4472","","10.1039/C5NJ02611C","","","0.71073","MoKα","","0.0608","0.0419","","","0.0933","0.0997","","","","","","1.066","","","","has coordinates","183742","2020-10-21","18:00:00",""
"7055338","27.2998","0.0016","10.028","0.0006","20.6463","0.0011","90","","111.911","0.004","90","","5243.9","0.5","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H80 N6 S2 -","- C52 H80 N6 S2 -","- C208 H320 N24 S8 -","4","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0716","0.0513","","","0.1393","0.1489","","","","","","1.085","","","","has coordinates,has disorder","185600","2020-10-21","18:00:00",""
"7055339","19.481","0.004","9.905","0.002","26.74","0.005","90","","99.08","0.03","90","","5095.1","1.8","213","2","213","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H74 N12 S2 -","- C52 H74 N12 S2 -","- C208 H296 N48 S8 -","4","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0618","0.0427","","","0.1029","0.1078","","","","","","0.889","","","","has coordinates","185600","2020-10-21","18:00:00",""
"7055340","12.894","0.002","13.432","0.002","20.463","0.003","91.86","0.02","100.24","0.02","106.8","0.02","3325.5","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H92 N6 O14 S4 -","- C56 H92 N6 O14 S4 -","- C112 H184 N12 O28 S8 -","2","1","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0951","0.0506","","","0.1019","0.1127","","","","","","0.865","","","","has coordinates","185600","2020-10-21","18:00:00",""
"7055341","18.934","0.003","10.294","0.003","31.857","0.005","90","","105.36","0.02","90","","5987","2","180","2","180","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H76 N6 O8 S2 -","- C48 H76 N6 O8 S2 -","- C192 H304 N24 O32 S8 -","4","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0566","0.0458","","","0.1321","0.1387","","","","","","0.792","","","","has coordinates","185600","2020-10-21","18:00:00",""
"7055342","27.58","0.004","9.948","0.002","19.845","0.003","90","","109.5","0.02","90","","5132.5","1.6","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 N6 O4 S2 -","- C48.01 H84 N6 O4 S2 -","- C192.04 H336 N24 O16 S8 -","4","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0875","0.0677","","","0.2012","0.2136","","","","","","0.987","","","","has coordinates,has disorder","185600","2020-10-21","18:00:00",""
"7055343","13.007","0.003","10.269","0.002","19.285","0.004","90","","97.5","0.03","90","","2553.8","1","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 N6 O4 S2 -","- C48 H80 N6 O4 S2 -","- C96 H160 N12 O8 S4 -","2","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.1038","0.036","","","0.0446","0.0519","","","","","","0.554","","","","has coordinates","185600","2020-10-21","18:00:00",""
"7055344","30.1303","0.0007","9.2069","0.0002","14.6698","0.0002","90","","90","","90","","4069.5","0.14","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H17 I2 N3 O Pt -","- C17 H17 I2 N3 O Pt -","- C136 H136 I16 N24 O8 Pt8 -","8","1","","Borré, Etienne; Dahm, Georges; Guichard, Gilles; Bellemin-Laponnaz, Stéphane","Post-functionalization of platinum‒NHC complexes by oxime ligation for ligand targeted therapy","New J. Chem.","2016","40","4","3164","","10.1039/C5NJ03104D","","","0.71073","MoKα","","0.0463","0.0316","","","0.076","0.0899","","","","","","1.134","","","","has coordinates","182771","2020-10-21","18:00:00",""
"7055345","8.788","0.0004","13.2107","0.0005","15.6462","0.0006","112.549","0.002","91.335","0.002","104.644","0.002","1608.33","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 I2 N4 O Pt -","- C33 H36 I2 N4 O Pt -","- C66 H72 I4 N8 O2 Pt2 -","2","1","","Borré, Etienne; Dahm, Georges; Guichard, Gilles; Bellemin-Laponnaz, Stéphane","Post-functionalization of platinum‒NHC complexes by oxime ligation for ligand targeted therapy","New J. Chem.","2016","40","4","3164","","10.1039/C5NJ03104D","","","0.71073","MoKα","","0.054","0.039","","","0.1005","0.1173","","","","","","1.084","","","","has coordinates","182771","2020-10-21","18:00:00",""
"7055346","13.1253","0.0014","30.475","0.003","11.2124","0.0014","90","","107.676","0.007","90","","4273.2","0.8","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cl3 N9 O Zn -","- C50 H34 Cl3 N9 O Zn -","- C200 H136 Cl12 N36 O4 Zn4 -","4","1","","Mandoj, Federica; D'Urso, Alessandro; Nardis, Sara; Monti, Donato; Stefanelli, Manuela; Gangemi, Chiara M. A.; Randazzo, Rosalba; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","The interaction of a β-fused isoindoline‒porphyrin conjugate with nucleic acids","New J. Chem.","2016","40","7","5662","","10.1039/C5NJ03201F","","","1.54184","CuKα","","0.0434","0.0398","","","0.1071","0.11","","","","","","1.028","","","","has coordinates","185596","2020-10-21","18:00:00",""
"7055347","21.798","0.003","9.7924","0.0009","17.18","0.003","90","","111.803","0.018","90","","3404.8","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Cl2 Cu2 N6 O2 -","- C38 H28 Cl2 Cu2 N6 O2 -","- C152 H112 Cl8 Cu8 N24 O8 -","4","0.5","","Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Angle isomerism, as exemplified in a five-coordinate, dimeric copper(ii) Schiff base complex. Observation of Ostwald ripening","New J. Chem.","2016","40","4","3238","","10.1039/C5NJ02765A","","","0.71073","MoKα","","0.0788","0.0619","","","0.1515","0.1635","","","","","","1.041","","","","has coordinates","182773","2020-10-21","18:00:00",""
"7055348","7.1801","0.0006","10.2796","0.0007","12.3788","0.0008","99.208","0.006","95.428","0.006","108.174","0.007","846.66","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 Cl2 Cu2 N6 O2 -","- C38 H28 Cl2 Cu2 N6 O2 -","- C38 H28 Cl2 Cu2 N6 O2 -","1","0.5","","Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Angle isomerism, as exemplified in a five-coordinate, dimeric copper(ii) Schiff base complex. Observation of Ostwald ripening","New J. Chem.","2016","40","4","3238","","10.1039/C5NJ02765A","","","0.71073","MoKα","","0.0432","0.0356","","","0.0858","0.0899","","","","","","1.038","","","","has coordinates","182773","2020-10-21","18:00:00",""
"7055349","11.8773","0.0007","11.8773","0.0007","44.58","0.003","90","","90","","90","","6288.9","0.7","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C66 H104 N6 O7 -","- C66 H104 N6 O7 -","- C264 H416 N24 O28 -","4","0.5","","Yuan, Minghui; Tanabe, Iori; Bernard-Schaaf, Jean-Marie; Shi, Qin-Yin; Schlegel, Vicki; Schurhammer, Rachel; Dowben, Peter A.; Doudin, Bernard; Routaboul, Lucie; Braunstein, Pierre","Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces","New J. Chem.","2016","40","7","5782","","10.1039/C5NJ03251B","","","0.71073","MoKα","","0.0685","0.0527","","","0.1145","0.1228","","","","","","1.074","","","","has coordinates,has disorder","185583","2020-10-21","18:00:00",""
"7055350","11.7927","0.0002","11.7927","0.0002","25.0037","0.0005","90","","90","","90","","3477.21","0.11","193","2","193","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C144 H208 N16 O16 -","8","1","","Yuan, Minghui; Tanabe, Iori; Bernard-Schaaf, Jean-Marie; Shi, Qin-Yin; Schlegel, Vicki; Schurhammer, Rachel; Dowben, Peter A.; Doudin, Bernard; Routaboul, Lucie; Braunstein, Pierre","Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces","New J. Chem.","2016","40","7","5782","","10.1039/C5NJ03251B","","","0.71073","MoKα","","0.0829","0.0571","","","0.1511","0.1635","","","","","","1.12","","","","has coordinates","185583","2020-10-21","18:00:00",""
"7055351","8.318","0.0003","14.3938","0.0005","18.1616","0.0006","90","","90","","90","","2174.45","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Yuan, Minghui; Tanabe, Iori; Bernard-Schaaf, Jean-Marie; Shi, Qin-Yin; Schlegel, Vicki; Schurhammer, Rachel; Dowben, Peter A.; Doudin, Bernard; Routaboul, Lucie; Braunstein, Pierre","Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces","New J. Chem.","2016","40","7","5782","","10.1039/C5NJ03251B","","","1.54178","CuKα","","0.0923","0.0899","","","0.2579","0.2608","","","","","","1.072","","","","has coordinates,has disorder","185583","2020-10-21","18:00:00",""
"7055352","11.4153","0.0008","6.849","0.0007","12.4992","0.0012","90","","110.314","0.006","90","","916.45","0.15","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H30 Se -","- C20 H30 Se -","- C40 H60 Se2 -","2","0.5","","Boualy, Brahim; El Houssame, Soufiane; Sancineto, Luca; Santi, Claudio; Ait Ali, Mustapha; Stoeckli-Evans, Helen; El Firdoussi, Larbi","A mild and efficient method for the synthesis of a new optically active diallyl selenide and its catalytic activity in the allylic chlorination of natural terpenes","New J. Chem.","2016","40","4","3395","","10.1039/C5NJ02797G","","","0.71073","MoKα","","0.02","0.0195","","","0.0457","0.0458","","","","","","1.003","","","","has coordinates","182772","2020-10-21","18:00:00",""
"7055353","7.245","0.005","32.443","0.005","11.885","0.005","90","0.005","94.522","0.005","90","0.005","2785","2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Fe O4 -","- C42 H26 Fe O4 -","- C168 H104 Fe4 O16 -","4","1","","Singh, Thokchom Prasanta; Shunmugam, Raja","PCl3-mediated synthesis of green/cyan fluorescent protein chromophores using amino acids","New J. Chem.","2016","40","4","3024","","10.1039/C5NJ03144C","","","0.71069","MoKα","","0.3751","0.1386","","","0.2555","0.3588","","","","","","0.97","","","","has coordinates","182775","2020-10-21","18:00:00",""
"7055363","27.194","0.004","10.9496","0.0013","19.143","0.002","90","","100.772","0.004","90","","5599.6","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 B2 N4 -","- C34 H28 B2 N4 -","- C272 H224 B16 N32 -","8","1","","Gai, Lizhi; Xu, Jialiang; Wu, Yanping; Lu, Hua; Shen, Zhen","Synthesis and spectroscopic properties of novel N‒N linked bis-(diphenylboron) complexes","New J. Chem.","2016","40","7","5752","","10.1039/C5NJ03217B","","","0.71073","MoKα","","0.1262","0.061","","","0.1537","0.2144","","","","","","0.982","","","","has coordinates","185598","2020-10-21","18:00:00",""
"7055364","11.471","0.003","22.263","0.005","12.589","0.003","90","","94.037","0.004","90","","3207","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 B2 N4 -","- C38 H36 B2 N4 -","- C152 H144 B8 N16 -","4","1","","Gai, Lizhi; Xu, Jialiang; Wu, Yanping; Lu, Hua; Shen, Zhen","Synthesis and spectroscopic properties of novel N‒N linked bis-(diphenylboron) complexes","New J. Chem.","2016","40","7","5752","","10.1039/C5NJ03217B","","","0.71073","MoKα","","0.1145","0.0571","","","0.1399","0.1687","","","","","","1.006","","","","has coordinates","185598","2020-10-21","18:00:00",""
"7055365","20.3791","0.0003","10.08862","0.00014","15.5172","0.0002","90","","110.049","0.0017","90","","2996.97","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br P -","- C17 H16 Br P -","- C136 H128 Br8 P8 -","8","2","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","1.5418","CuKα","","0.0305","0.0275","","","0.0735","0.0765","","","","","","1.016","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7055366","8.7824","0.0004","11.1066","0.0006","11.4473","0.0006","103.246","0.005","106.855","0.005","107.784","0.005","953.73","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Br2 Cl6 P2 Pd -","- C36 H36 Br2 Cl6 P2 Pd -","- C36 H36 Br2 Cl6 P2 Pd -","1","0.5","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","0.7107","MoKα","","0.0631","0.0511","","","0.1245","0.1339","","","","","","1.045","","","","has coordinates","182768","2020-10-21","18:00:00",""
"7055367","11.3816","0.0003","18.927","0.0004","16.0478","0.0004","90","","109.582","0.003","90","","3257.07","0.15","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Br2 Cl2 P2 Pt -","- C34 H32 Br2 Cl2 P2 Pt -","- C136 H128 Br8 Cl8 P8 Pt4 -","4","1","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","0.71073","MoKα","","0.0282","0.0238","","","0.0534","0.0552","","","","","","1.103","","","","has coordinates","182768","2020-10-21","18:00:00",""
"7055368","8.7628","0.0003","11.1119","0.0005","11.4634","0.0005","103.369","0.004","106.943","0.003","107.517","0.003","953.98","0.08","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Br Cl3 P Pt0.5 -","- C18 H18 Br Cl3 P Pt0.5 -","- C36 H36 Br2 Cl6 P2 Pt -","2","1","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","1.54184","CuKα","","0.0253","0.0209","","","0.0492","0.0507","","","","","","1.103","","","","has coordinates","182768","2020-10-21","18:00:00",""
"7055369","11.9317","0.0006","15.5172","0.0006","16.9442","0.0008","90","","100.854","0.005","90","","3081","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl2 P2 Pt -","- C34 H34 Cl2 P2 Pt -","- C136 H136 Cl8 P8 Pt4 -","4","1","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","1.54184","CuKα","","0.0728","0.0557","","","0.1424","0.165","","","","","","1.075","","","","has coordinates","182768","2020-10-21","18:00:00",""
"7055370","12.2369","0.0004","8.2187","0.0002","15.0367","0.0005","90","","91.105","0.003","90","","1511.98","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl2 P2 Pd -","- C34 H34 Cl2 P2 Pd -","- C68 H68 Cl4 P4 Pd2 -","2","0.5","","Klingenberg, Margarita A.; Bogachenkov, Alexander S.; Kinzhalov, Mikhail A.; Vasilyev, Aleksander V.; Boyarskiy, Vadim P.","1,4-Dihydrophosphinolines and their complexes with group 10 metals","New J. Chem.","2016","40","4","3336","","10.1039/C5NJ03038B","","","1.54184","CuKα","","0.0437","0.0383","","","0.0897","0.0938","","","","","","1.076","","","","has coordinates","182768","2020-10-21","18:00:00",""
"7055371","9.5958","0.0006","15.6026","0.0009","16.4916","0.001","90","","103.752","0.002","90","","2398.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 N4 O12 Zn3 -","- C46 H58 N4 O12 Zn3 -","- C92 H116 N8 O24 Zn6 -","2","0.5","","Akpan, Ekemini D.; Ojwach, Stephen O.; Omondi, Bernard; Nyamori, Vincent O.","Zn(ii) and Cu(ii) formamidine complexes: structural, kinetics and polymer tacticity studies in the ring-opening polymerization of ε-caprolactone and lactides","New J. Chem.","2016","40","4","3499","","10.1039/C5NJ03159A","","x-ray","0.71073","MoKα","","0.0287","0.0273","","","0.0715","0.0725","","","","","","1.059","","","","has coordinates","182770","2020-10-21","18:00:00",""
"7055372","13.957","0.0003","21.3908","0.0004","21.4967","0.0005","94.542","0.001","108.766","0.001","100.316","0.001","5913.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 N4 O8 Zn2 -","- C58 H84 N4 O8 Zn2 -","- C232 H336 N16 O32 Zn8 -","4","2","","Akpan, Ekemini D.; Ojwach, Stephen O.; Omondi, Bernard; Nyamori, Vincent O.","Zn(ii) and Cu(ii) formamidine complexes: structural, kinetics and polymer tacticity studies in the ring-opening polymerization of ε-caprolactone and lactides","New J. Chem.","2016","40","4","3499","","10.1039/C5NJ03159A","","","0.71073","MoKα","","0.0475","0.0338","","","0.0815","0.091","","","","","","1.041","","","","has coordinates,has disorder","182770","2020-10-21","18:00:00",""
"7055373","15.4331","0.001","12.4453","0.0009","16.2537","0.0011","90","","104.965","0.003","90","","3016","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H84 Cu2 N4 O8 -","- C19.3333 H28 Cu0.666667 N1.33333 O2.66667 -","- C116 H168 Cu4 N8 O16 -","6","1.5","","Akpan, Ekemini D.; Ojwach, Stephen O.; Omondi, Bernard; Nyamori, Vincent O.","Zn(ii) and Cu(ii) formamidine complexes: structural, kinetics and polymer tacticity studies in the ring-opening polymerization of ε-caprolactone and lactides","New J. Chem.","2016","40","4","3499","","10.1039/C5NJ03159A","","x-ray","0.71073","MoKα","","0.0361","0.0312","","","0.0815","0.0875","","","","","","1.095","","","","has coordinates","182770","2020-10-21","18:00:00",""
"7055374","9.4219","0.0007","12.1061","0.0009","20.8673","0.0018","85.831","0.005","85.579","0.005","77.657","0.004","2314.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N4 O8 Zn2 -","- C46 H60 N4 O8 Zn2 -","- C92 H120 N8 O16 Zn4 -","2","1","","Akpan, Ekemini D.; Ojwach, Stephen O.; Omondi, Bernard; Nyamori, Vincent O.","Zn(ii) and Cu(ii) formamidine complexes: structural, kinetics and polymer tacticity studies in the ring-opening polymerization of ε-caprolactone and lactides","New J. Chem.","2016","40","4","3499","","10.1039/C5NJ03159A","","","0.71073","MoKα","","0.0633","0.051","","","0.1165","0.1237","","","","","","1.135","","","","has coordinates,has disorder","182770","2020-10-21","18:00:00",""
"7055375","11.906","0.004","15.107","0.006","16.009","0.005","65.288","0.015","73.741","0.017","73.112","0.017","2461","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26.5 H19 Cl N6 O3 S Zn -","- C26.5 H19 Cl N6 O3 S Zn -","- C106 H76 Cl4 N24 O12 S4 Zn4 -","4","2","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","0.71073","MoKα","","0.1826","0.1169","","","0.3046","0.3884","","","","","","1.341","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7055376","10.55","0.003","12.969","0.004","14.219","0.004","103.147","0.014","92.137","0.016","98.31","0.015","1869.6","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H60 N24 O13 S4 Zn4 -","- C73 H56 N24 O13 S4 Zn4 -","- C73 H56 N24 O13 S4 Zn4 -","1","0.5","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","0.71073","MoKα","","0.0478","0.0422","","","0.1205","0.1253","","","","","","1.018","","","","has coordinates","182774","2020-10-21","18:00:00",""
"7055377","6.0475","0.0006","12.1271","0.0011","14.1409","0.0015","86.254","0.003","82.737","0.004","81.271","0.003","1015.71","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 N6 O3 S Zn -","- C21 H16 N6 O3 S Zn -","- C42 H32 N12 O6 S2 Zn2 -","2","1","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","0.71073","MoKα","","0.0552","0.0365","","","0.0885","0.0972","","","","","","0.987","","","","has coordinates","182774","2020-10-21","18:00:00",""
"7055378","22.2366","0.0008","12.0486","0.0005","17.9814","0.0006","90","","114.994","0.0012","90","","4366.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N6 O3 S Zn -","- C20 H18 N6 O3 S Zn -","- C160 H144 N48 O24 S8 Zn8 -","8","1","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","0.71073","MoKα","","0.0561","0.0334","","","0.0844","0.0942","","","","","","1.028","","","","has coordinates","182774","2020-10-21","18:00:00",""
"7055379","7.9317","0.0014","11.671","0.002","14.471","0.003","111.165","0.009","91.581","0.01","102.581","0.009","1210.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 N7 O3 S Zn -","- C24 H21 N7 O3 S Zn -","- C48 H42 N14 O6 S2 Zn2 -","2","1","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","0.71073","MoKα","","0.1074","0.0875","","","0.2298","0.2389","","","","","","1.102","","","","has coordinates","182774","2020-10-21","18:00:00",""
"7055380","9.7377","0.0013","10.8604","0.0012","11.9599","0.0015","67.51","0.011","76.142","0.011","76.077","0.011","1118.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 N6 O3 S Zn -","- C24 H18 N6 O3 S Zn -","- C48 H36 N12 O6 S2 Zn2 -","2","1","","Indoria, Shikha; Lobana, Tarlok S.; Sood, Henna; Arora, Daljit S.; Hundal, Geeta; Jasinski, Jerry P.","Synthesis, spectroscopy, structures and antimicrobial activity of mixed-ligand zinc(ii) complexes of 5-nitro-salicylaldehyde thiosemicarbazones","New J. Chem.","2016","40","4","3642","","10.1039/C5NJ02822A","","","1.54178","CuKα","","0.0416","0.0388","","","0.1045","0.1078","","","","","","1.054","","","","has coordinates","182774","2020-10-21","18:00:00",""
"7055381","12.389","0.0003","17.8502","0.0004","20.4246","0.0005","80.244","0.002","82.55","0.002","85.849","0.002","4408.04","0.18","183","1","183","1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H89 Cr4 Dy N14 O43 -","- C70 H89 Cr4 Dy N14 O43 -","- C140 H178 Cr8 Dy2 N28 O86 -","2","1","","Blacque, Olivier; Amjad, Asma; Caneschi, Andrea; Sorace, Lorenzo; Car, Pierre-Emmanuel","Synthesis, structure, magnetic and magnetocaloric properties of a series of {CrIII4LnIII} complexes","New J. Chem.","2016","40","4","3571","","10.1039/C6NJ00136J","","x-ray","0.71073","MoKα","","0.0777","0.0474","","","0.0977","0.1145","","","","","","1.052","","","","has coordinates","182769","2020-10-21","18:00:00",""
"7055382","16.7984","0.0003","24.1625","0.0004","22.0725","0.0004","90","","95.739","0.002","90","","8914.1","0.3","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H91 Cr4 Dy N14 O44 -","- C70 H51 Cr4 Dy N14 O44 -","- C280 H204 Cr16 Dy4 N56 O176 -","4","1","","Blacque, Olivier; Amjad, Asma; Caneschi, Andrea; Sorace, Lorenzo; Car, Pierre-Emmanuel","Synthesis, structure, magnetic and magnetocaloric properties of a series of {CrIII4LnIII} complexes","New J. Chem.","2016","40","4","3571","","10.1039/C6NJ00136J","","x-ray","0.71073","MoKα","","0.0763","0.0504","","","0.1237","0.1374","","","","","","1.052","","","","has coordinates,has disorder","182769","2020-10-21","18:00:00",""
"7055383","16.7168","0.0003","24.1981","0.0003","22.127","0.0004","90","","95.645","0.0017","90","","8907.3","0.3","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H91 Cr4 N14 O44 Tb -","- C70 H51 Cr4 N14 O44 Tb -","- C280 H204 Cr16 N56 O176 Tb4 -","4","1","","Blacque, Olivier; Amjad, Asma; Caneschi, Andrea; Sorace, Lorenzo; Car, Pierre-Emmanuel","Synthesis, structure, magnetic and magnetocaloric properties of a series of {CrIII4LnIII} complexes","New J. Chem.","2016","40","4","3571","","10.1039/C6NJ00136J","","","1.54184","CuKα","","0.0949","0.0705","","","0.2068","0.2262","","","","","","1.05","","","","has coordinates,has disorder","182769","2020-10-21","18:00:00",""
"7055384","16.81501","0.00017","24.2384","0.0002","22.06575","0.00019","90","","95.8109","0.0009","90","","8947.1","0.14","183","1","183","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H91 Cr4 Gd N14 O44 -","- C70 H51 Cr4 Gd N14 O44 -","- C280 H204 Cr16 Gd4 N56 O176 -","4","1","","Blacque, Olivier; Amjad, Asma; Caneschi, Andrea; Sorace, Lorenzo; Car, Pierre-Emmanuel","Synthesis, structure, magnetic and magnetocaloric properties of a series of {CrIII4LnIII} complexes","New J. Chem.","2016","40","4","3571","","10.1039/C6NJ00136J","","x-ray","1.54184","CuKα","","0.0594","0.047","","","0.1247","0.1347","","","","","","1.037","","","","has coordinates,has disorder","182769","2020-10-21","18:00:00",""
"7055385","7.5348","0.0005","8.5333","0.0004","17.6251","0.0012","76.322","0.005","79.285","0.005","69.702","0.005","1025.99","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 N6 O3 Re -","- C20 H17 N6 O3 Re -","- C40 H34 N12 O6 Re2 -","2","1","","Simpson, Peter V.; Skelton, Brian W.; Raiteri, Paolo; Massi, Massimiliano","Photophysical and photochemical studies of tricarbonyl rhenium(i) N-heterocyclic carbene complexes containing azide and triazolate ligands","New J. Chem.","2016","40","7","5797","","10.1039/C5NJ03301B","","x-ray","0.71073","MoKα","","0.0344","0.031","","","0.0718","0.0731","","","","","","1.125","","","","has coordinates,has disorder","185575","2020-10-21","18:00:00",""
"7055386","7.7716","0.0002","11.1256","0.0003","15.1208","0.0003","81.412","0.002","77.239","0.002","75.665","0.002","1229.19","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.69 H17.37 Cl1.37 N7 O3 Re -","- C19.687 H17.374 Cl1.374 N7 O3 Re -","- C39.374 H34.748 Cl2.748 N14 O6 Re2 -","2","1","","Simpson, Peter V.; Skelton, Brian W.; Raiteri, Paolo; Massi, Massimiliano","Photophysical and photochemical studies of tricarbonyl rhenium(i) N-heterocyclic carbene complexes containing azide and triazolate ligands","New J. Chem.","2016","40","7","5797","","10.1039/C5NJ03301B","","x-ray","0.71073","MoKα","","0.035","0.0341","","","0.0922","0.0929","","","","","","1.121","","","","has coordinates,has disorder","185575","2020-10-21","18:00:00",""
"7055387","11.3508","0.0002","14.0357","0.0002","16.9573","0.0002","90","","105.98","0.002","90","","2597.18","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N6 O7 Re -","- C26 H23 N6 O7 Re -","- C104 H92 N24 O28 Re4 -","4","1","","Simpson, Peter V.; Skelton, Brian W.; Raiteri, Paolo; Massi, Massimiliano","Photophysical and photochemical studies of tricarbonyl rhenium(i) N-heterocyclic carbene complexes containing azide and triazolate ligands","New J. Chem.","2016","40","7","5797","","10.1039/C5NJ03301B","","x-ray","0.71073","MoKα","","0.0469","0.0326","","","0.0572","0.061","","","","","","1.086","","","","has coordinates","185575","2020-10-21","18:00:00",""
"7055388","10.6216","0.0002","11.4287","0.0001","21.8647","0.0003","90","","95.109","0.001","90","","2643.63","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N7 O7 Re -","- C25 H22 N7 O7 Re -","- C100 H88 N28 O28 Re4 -","4","1","","Simpson, Peter V.; Skelton, Brian W.; Raiteri, Paolo; Massi, Massimiliano","Photophysical and photochemical studies of tricarbonyl rhenium(i) N-heterocyclic carbene complexes containing azide and triazolate ligands","New J. Chem.","2016","40","7","5797","","10.1039/C5NJ03301B","","x-ray","0.71073","MoKα","","0.0362","0.0275","","","0.0573","0.0607","","","","","","1.052","","","","has coordinates","185575","2020-10-21","18:00:00",""
"7055389","11.801","0.006","13.315","0.006","17.303","0.008","110.308","0.011","91.184","0.012","104.924","0.012","2446","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cl2 Fe N10 O10 -","- C38 H30 Cl2 Fe N10 O10 -","- C76 H60 Cl4 Fe2 N20 O20 -","2","1","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.2083","0.1351","","","0.3517","0.4","","","","","","1.099","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055390","11.891","0.0019","12.235","0.002","18.064","0.003","72.999","0.004","75.187","0.003","86.189","0.003","2429.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 B2 F8 Fe N10 O2 -","- C38 H30 B2 F8 Fe N10 O2 -","- C76 H60 B4 F16 Fe2 N20 O4 -","2","1","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1105","0.0883","","","0.2567","0.2841","","","","","","1.086","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055391","11.893","0.003","12.353","0.003","18.068","0.005","73.665","0.005","75.689","0.005","86.462","0.005","2468.2","1.1","180","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 B2 F8 Fe N10 O2 -","- C38 H30 B2 F8 Fe N10 O2 -","- C76 H60 B4 F16 Fe2 N20 O4 -","2","1","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1297","0.0962","","","0.2812","0.3096","","","","","","1.081","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055392","11.8477","0.0019","14.823","0.002","16.192","0.004","104","0.005","98.38","0.005","113.241","0.004","2440.7","0.8","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 F6 Fe N10 O8 S2 -","- C40 H30 F6 Fe N10 O8 S2 -","- C80 H60 F12 Fe2 N20 O16 S4 -","2","1","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1651","0.1121","","","0.3086","0.3498","","","","","","1.083","","","","has coordinates","183745","2020-10-21","18:00:00",""
"7055393","33.209","0.004","14.8798","0.0018","18.8479","0.0018","90","","90","","90","","9313.6","1.8","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H34 Cl2 Fe N8 O13 -","- C42 H34 Cl2 Fe N8 O13 -","- C336 H272 Cl16 Fe8 N64 O104 -","8","0.5","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1398","0.0961","","","0.2473","0.2876","","","","","","1.033","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055394","33.402","0.006","15.304","0.003","19.044","0.003","90","","90","","90","","9735","3","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H35.33 Cl2 Fe N8 O12.67 -","- C42 H35.3332 Cl2 Fe N8 O12.6666 -","- C336 H282.666 Cl16 Fe8 N64 O101.333 -","8","0.5","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.1077","0.0911","","","0.2336","0.2491","","","","","","1.017","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055395","32.579","0.01","17.101","0.004","18.604","0.004","90","","90","","90","","10365","5","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C42 H34 Cl2 Fe N8 O12 -","- C42 H34 Cl2 Fe N8 O12 -","- C336 H272 Cl16 Fe8 N64 O96 -","8","0.5","","Shen, Fu-Xing; Huang, Wei; Yamamoto, Takashi; Einaga, Yasuaki; Wu, Dayu","Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover","New J. Chem.","2016","40","5","4534","","10.1039/C5NJ03095A","","","0.71073","MoKα","","0.2022","0.0958","","","0.2304","0.3048","","","","","","0.966","","","","has coordinates,has disorder","183745","2020-10-21","18:00:00",""
"7055396","8.701","0.0005","14.815","0.0006","17.4601","0.0009","90","","118.559","0.005","90","","1976.8","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N4 Sn -","- C21 H22 N4 Sn -","- C84 H88 N16 Sn4 -","4","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0248","0.0189","","","0.0441","0.0514","","","","","","1.216","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055397","10.9088","0.0009","13.31","0.0007","28.147","0.003","81.282","0.007","80.812","0.008","68.233","0.008","3727.7","0.6","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H79 Cl6 N15 O Sn3 -","- C71 H79 Cl6 N15 O Sn3 -","- C142 H158 Cl12 N30 O2 Sn6 -","2","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0591","0.0548","","","0.1229","0.1262","","","","","","1.054","","","","has coordinates,has disorder","185591","2020-10-21","18:00:00",""
"7055398","9.965","0.0006","14.07","0.0006","16.8031","0.0011","90","","120.993","0.006","90","","2019.6","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N8 Sn -","- C18 H24 N8 Sn -","- C72 H96 N32 Sn4 -","4","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0373","0.0298","","","0.0691","0.0755","","","","","","1.195","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055399","10.049","0.0003","13.4371","0.0012","18.4539","0.001","90","","103.31","0.004","90","","2424.9","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N5 Sn -","- C24 H35 N5 Sn -","- C96 H140 N20 Sn4 -","4","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0396","0.0256","","","0.0506","0.058","","","","","","1.146","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055400","32.4123","0.0005","9.6582","0.0003","16.382","0.0003","90","","103.131","0.002","90","","4994.2","0.2","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 N5 Sn -","- C26 H31 N5 Sn -","- C208 H248 N40 Sn8 -","8","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0347","0.0244","","","0.0539","0.0615","","","","","","1.142","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055401","16.2012","0.0004","6.1332","0.0005","12.707","0.0002","90","","97.423","0.005","90","","1252.05","0.11","150","1","150","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C4 H9 N5 -","- C4 H9 N5 -","- C32 H72 N40 -","8","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0771","0.052","","","0.1251","0.1393","","","","","","1.117","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055402","13.389","0.0009","15.3861","0.0013","15.934","0.0007","90","","90","","90","","3282.5","0.4","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H21 N7 Sn -","- C13 H21 N7 Sn -","- C104 H168 N56 Sn8 -","8","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0516","0.0246","","","0.0486","0.0631","","","","","","1.168","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055407","10.281","0.0006","18.6929","0.0013","24.7011","0.0016","90.145","0.002","99.641","0.002","104.611","0.002","4523.7","0.5","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H101 I8 Mo6 N9 O19 -","- C70 H99 I8 Mo6 N9 O19 -","- C140 H198 I16 Mo12 N18 O38 -","2","1","","Mikhailov, Maksim A.; Brylev, Konstantin A.; Virovets, Alexandr V.; Gallyamov, Marsel R.; Novozhilov, Igor; Sokolov, Maxim N.","Complexes of {Mo6I8} with nitrophenolates: synthesis and luminescence","New J. Chem.","2016","40","2","1162","","10.1039/C5NJ02246K","","","0.71073","MoKα","","0.1161","0.0547","","","0.1022","0.1282","","","","","","0.969","","","","has coordinates,has disorder","177590","2020-10-21","18:00:00",""
"7055408","40.5","0.005","10.2557","0.0013","32.799","0.005","90","","123.367","0.007","90","","11378","3","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H114 I8 Mo6 N14 O33 -","- C80 H114 I8 Mo6 N14 O33 -","- C320 H456 I32 Mo24 N56 O132 -","4","0.5","","Mikhailov, Maksim A.; Brylev, Konstantin A.; Virovets, Alexandr V.; Gallyamov, Marsel R.; Novozhilov, Igor; Sokolov, Maxim N.","Complexes of {Mo6I8} with nitrophenolates: synthesis and luminescence","New J. Chem.","2016","40","2","1162","","10.1039/C5NJ02246K","","","0.71073","MoKα","","0.1087","0.0616","","","0.1352","0.1621","","","","","","1.085","","","","has coordinates,has disorder","177590","2020-10-21","18:00:00",""
"7055409","22.115","0.003","17.117","0.003","23.322","0.005","90","","109.896","0.003","90","","8301","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H27 F10 Ir N8 O P -","- C37 H27 F10 Ir N8 O P -","- C296 H216 F80 Ir8 N64 O8 P8 -","8","1","","Huang, Shao-Fen; Sun, Hai-Zhu; Shan, Guo-Gang; Wu, Yong; Zhang, Min; Su, Zhong-Min","Towards an efficient blue emission cationic Ir(iii) complex with azole-type ancillary ligands: a joint theoretical and experimental study","New J. Chem.","2016","40","5","4635","","10.1039/C5NJ03045E","","","0.71069","MoKα","","0.0747","0.0396","","","0.1001","0.117","","","","","","0.683","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7055410","9.844","0.0004","24.218","0.0011","15.788","0.0007","90","","101.857","0.001","90","","3683.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H21 Cl2 F10 Ir N7 P -","- C33 H21 Cl2 F10 Ir N7 P -","- C132 H84 Cl8 F40 Ir4 N28 P4 -","4","1","","Huang, Shao-Fen; Sun, Hai-Zhu; Shan, Guo-Gang; Wu, Yong; Zhang, Min; Su, Zhong-Min","Towards an efficient blue emission cationic Ir(iii) complex with azole-type ancillary ligands: a joint theoretical and experimental study","New J. Chem.","2016","40","5","4635","","10.1039/C5NJ03045E","","","0.71069","MoKα","","0.0597","0.0422","","","0.1046","0.1197","","","","","","1.077","","","","has coordinates","183743","2020-10-21","18:00:00",""
"7055411","11.253","0.0008","11.583","0.0008","15.263","0.0011","103.296","0.0013","99.143","0.0015","109.752","0.0014","1760.3","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H23 Cl3 F10 Ir N8 P -","- C28.5 H23 Cl3 F10 Ir N8 P -","- C57 H46 Cl6 F20 Ir2 N16 P2 -","2","1","","Huang, Shao-Fen; Sun, Hai-Zhu; Shan, Guo-Gang; Wu, Yong; Zhang, Min; Su, Zhong-Min","Towards an efficient blue emission cationic Ir(iii) complex with azole-type ancillary ligands: a joint theoretical and experimental study","New J. Chem.","2016","40","5","4635","","10.1039/C5NJ03045E","","","0.71069","MoKα","","0.0616","0.0419","","","0.083","0.0908","","","","","","1.041","","","","has coordinates,has disorder","183743","2020-10-21","18:00:00",""
"7055412","11.2861","0.0003","13.9823","0.0003","11.9367","0.0003","90","","91.985","0.002","90","","1882.55","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cu N8 O8 S2 -","- C34 H30 Cu N8 O8 S2 -","- C68 H60 Cu2 N16 O16 S4 -","2","0.5","","Sahu, Nilima; Das, Dipankar; Mondal, Sudipa; Roy, Suman; Dutta, Paramita; Sepay, Nayim; Gupta, Suvroma; López-Torres, Elena; Sinha, Chittaranjan","The structural characterization and biological activity of sulfamethoxazolyl-azo-p-cresol, its copper(ii) complex and their theoretical studies","New J. Chem.","2016","40","6","5019","","10.1039/C5NJ02983J","","","0.71073","MoKα","","0.0675","0.038","","","0.0999","0.1216","","","","","","1.074","","","","has coordinates","183739","2020-10-21","18:00:00",""
"7055413","29.8607","0.0016","6.3552","0.0004","17.473","0.0011","90","","95.254","0.003","90","","3301.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N4 O4 S -","- C17 H16 N4 O4 S -","- C136 H128 N32 O32 S8 -","8","1","","Sahu, Nilima; Das, Dipankar; Mondal, Sudipa; Roy, Suman; Dutta, Paramita; Sepay, Nayim; Gupta, Suvroma; López-Torres, Elena; Sinha, Chittaranjan","The structural characterization and biological activity of sulfamethoxazolyl-azo-p-cresol, its copper(ii) complex and their theoretical studies","New J. Chem.","2016","40","6","5019","","10.1039/C5NJ02983J","","","0.71073","MoKα","","0.0539","0.0397","","","0.1013","0.1139","","","","","","1.055","","","","has coordinates","183739","2020-10-21","18:00:00",""
"7055414","16.979","0.001","10.3445","0.0009","15.9847","0.001","90","","90","","90","","2807.5","0.3","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","2","","Palakollu, Veerabhadraiah; Vasu, Anuji K.; Thiruvenkatam, Vijay; Kanvah, Sriram","A sensitive AIEE probe for amphiphilic compounds","New J. Chem.","2016","40","5","4588","","10.1039/C5NJ02398J","","","1.54184","CuKα","","0.0609","0.0566","","","0.1344","0.1407","","","","","","1.13","","","","has coordinates","183744","2020-10-21","18:00:00",""
"7055417","12.6922","0.0003","8.9547","0.0002","21.1831","0.0006","90","","90","","90","","2407.56","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0523","0.0397","","","0.0953","0.107","","","","","","1.064","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055418","7.3568","0.0017","27.672","0.006","12.434","0.003","90","","90","","90","","2531.3","1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H10 F4 N O1.5 -","- C14 H10 F4 N O1.5 -","- C112 H80 F32 N8 O12 -","8","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0613","0.0574","","","0.1396","0.1425","","","","","","1.108","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055419","27.3179","0.0014","5.207","0.0002","8.3017","0.0003","90","","90","","90","","1180.87","0.09","100","2","100","2","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0569","0.0515","","","0.1201","0.1246","","","","","","1.105","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055420","8.0218","0.0001","39.7347","0.0006","7.8866","0.0001","90","","103.942","0.001","90","","2439.75","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","2","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0832","0.0541","","","0.1104","0.121","","","","","","1.028","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055421","7.156","0.003","7.072","0.003","23.277","0.009","90","","91.651","0.006","90","","1177.5","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0423","0.0381","","","0.0944","0.0959","","","","","","1.042","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055422","15.4221","0.0004","7.9238","0.0002","19.9518","0.0005","90","","90.921","0.001","90","","2437.83","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","2","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0642","0.051","","","0.1361","0.1492","","","","","","1.083","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055423","12.9475","0.0016","9.5928","0.0011","10.0791","0.0012","90","","106.428","0.007","90","","1200.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0773","0.0609","","","0.1868","0.2121","","","","","","1.112","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055424","8.9068","0.0013","14.315","0.002","9.8311","0.0015","90","","90","","90","","1253.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0307","0.0302","","","0.0759","0.0763","","","","","","1.096","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055425","11.0809","0.0003","21.8822","0.0005","15.3792","0.0004","90","","90.281","0.001","90","","3729.02","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C168 H108 F48 N12 O12 -","12","3","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0647","0.0427","","","0.0981","0.1077","","","","","","1.063","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055426","4.8913","0.0003","25.8497","0.0015","9.6013","0.0007","90","","90.165","0.007","90","","1213.97","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0473","0.0395","","","0.0966","0.1021","","","","","","1.032","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055427","26.9156","0.0008","9.6838","0.0003","9.6832","0.0003","90","","90","","90","","2523.88","0.13","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.1226","0.0591","","","0.1514","0.1777","","","","","","1.053","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055428","28.214","0.007","5.186","0.0012","16.02","0.004","90","","98.7","0.02","90","","2317","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.047","0.0373","","","0.0918","0.0973","","","","","","1.039","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055429","5.353","0.002","6.963","0.003","16.666","0.006","80.519","0.006","88.584","0.006","71.932","0.006","582.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C28 H18 F8 N2 O2 -","2","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0555","0.0443","","","0.1142","0.1198","","","","","","1.026","","","","has coordinates","183733","2020-10-21","18:00:00",""
"7055430","29.0413","0.0017","12.5389","0.0006","13.3299","0.0006","90","","92.096","0.004","90","","4850.8","0.4","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrrole derivative","pyrrolecyanoacetamide","","- C27 H20 Cl N3 O3 -","- C27 H20 Cl N3 O3 -","- C216 H160 Cl8 N24 O24 -","8","1","","Ambethkar, Sethurajan; Padmini, Vediappen; Bhuvanesh, Nattamai","A one-pot sequential five-component domino reaction for the expedient synthesis of polysubstituted pyrroles","New J. Chem.","2016","40","5","4705","","10.1039/C5NJ03444B","","","1.54178","CuKα","","0.0427","0.0343","","","0.0853","0.0888","","","","","","1.096","","","","has coordinates","183746","2020-10-21","18:00:00",""
"7055431","9.6519","0.0005","14.0468","0.0014","14.7341","0.0014","117.367","0.01","99.409","0.006","94.091","0.006","1725.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H56 Co3 N12 O18 -","- C74 H56 Co3 N12 O18 -","- C74 H56 Co3 N12 O18 -","1","0.5","","Fan, Yan; Hu, Dong-Cheng; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Four cobalt(ii) complexes based on a new tricarboxylate with a naphthalene ring and different N-containing ligands: synthesis, crystal structures and magnetic properties","New J. Chem.","2016","40","6","5010","","10.1039/C6NJ00065G","","","0.71073","MoKα","","0.0633","0.0477","","","0.1157","0.1272","","","","","","1.054","","","","has coordinates","183730","2020-10-21","18:00:00",""
"7055432","11.7113","0.0006","10.46","0.0005","33.108","0.0016","90","","94.187","0.001","90","","4044.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C92 H72 Co3 N12 O20 -","- C92 H72 Co3 N12 O20 -","- C184 H144 Co6 N24 O40 -","2","0.5","","Fan, Yan; Hu, Dong-Cheng; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Four cobalt(ii) complexes based on a new tricarboxylate with a naphthalene ring and different N-containing ligands: synthesis, crystal structures and magnetic properties","New J. Chem.","2016","40","6","5010","","10.1039/C6NJ00065G","","","0.71073","MoKα","","0.0845","0.058","","","0.0972","0.1105","","","","","","1.189","","","","has coordinates,has disorder","183730","2020-10-21","18:00:00",""
"7055433","16.136","0.002","9.3687","0.0013","21.052","0.003","90","","94.838","0.002","90","","3171.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Co N4 O9 -","- C37 H26 Co N4 O9 -","- C148 H104 Co4 N16 O36 -","4","1","","Fan, Yan; Hu, Dong-Cheng; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Four cobalt(ii) complexes based on a new tricarboxylate with a naphthalene ring and different N-containing ligands: synthesis, crystal structures and magnetic properties","New J. Chem.","2016","40","6","5010","","10.1039/C6NJ00065G","","","0.71073","MoKα","","0.0758","0.0545","","","0.1425","0.1564","","","","","","1.014","","","","has coordinates","183730","2020-10-21","18:00:00",""
"7055434","21.087","0.004","21.087","0.004","12.382","0.003","90","","90","","90","","5506","2","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H25 Co2 N2 O10 -","- C30 H25 Co2 N2 O10 -","- C240 H200 Co16 N16 O80 -","8","1","","Fan, Yan; Hu, Dong-Cheng; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng","Four cobalt(ii) complexes based on a new tricarboxylate with a naphthalene ring and different N-containing ligands: synthesis, crystal structures and magnetic properties","New J. Chem.","2016","40","6","5010","","10.1039/C6NJ00065G","","","0.71073","MoKα","","0.0474","0.0343","","","0.0725","0.0781","","","","","","1.027","","","","has coordinates","183730","2020-10-21","18:00:00",""
"7055435","10.8225","0.0004","18.3578","0.0007","32.9471","0.0013","90","","90","","90","","6545.8","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Cl2 N9 O8.5 Ru -","- C29 H30 Cl2 N9 O8.5 Ru -","- C232 H240 Cl16 N72 O68 Ru8 -","8","1","","Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Tuning of the lowest excited states in mixed ruthenium(ii) polypyridyl complexes having RuN6cores by the conformation of the ancillary ligand. Emission from a3ligand-to-ligand-charge-transfer state","New J. Chem.","2016","40","6","5002","","10.1039/C5NJ03329B","","","0.71073","MoKα","","0.1181","0.0562","","","0.1251","0.1381","","","","","","0.881","","","","has coordinates","183731","2020-10-21","18:00:00",""
"7055436","9.2008","0.0007","33.423","0.003","11.4925","0.0008","90","","92.999","0.007","90","","3529.3","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 Cl2 N9 O9.5 Ru -","- C33 H32 Cl2 N9 O9.5 Ru -","- C132 H128 Cl8 N36 O38 Ru4 -","4","1","","Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Tuning of the lowest excited states in mixed ruthenium(ii) polypyridyl complexes having RuN6cores by the conformation of the ancillary ligand. Emission from a3ligand-to-ligand-charge-transfer state","New J. Chem.","2016","40","6","5002","","10.1039/C5NJ03329B","","","0.71073","MoKα","","0.2066","0.0959","","","0.1334","0.1658","","","","","","0.974","","","","has coordinates","183731","2020-10-21","18:00:00",""
"7055437","12.2261","0.0003","27.7257","0.0006","17.0282","0.0004","90","","99.793","0.002","90","","5688.1","0.2","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-dichlorido-bis(1,3-bis(2-ethoxy-2-oxoethyl)-imidazol-2-ylidine)- palladium(II)","","- C22 H32 Cl2 N4 O8 Pd -","- C22 H32.0002 Cl2 N4 O8 Pd -","- C176 H256.002 Cl16 N32 O64 Pd8 -","8","2","","Steeples, Elliot; Kelling, Alexandra; Schilde, Uwe; Esposito, Davide","Amino acid-derived N-heterocyclic carbene palladium complexes for aqueous phase Suzuki‒Miyaura couplings","New J. Chem.","2016","40","6","4922","","10.1039/C5NJ03337C","","","0.71073","MoKα","","0.0362","0.0297","","","0.0823","0.0846","","","","","","1.063","","","","has coordinates,has disorder","183735","2020-10-21","18:00:00",""
"7055438","10.392","0.0005","12.0677","0.0007","25.5618","0.001","90","","98.377","0.003","90","","3171.4","0.3","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-dichlorido-bis(1,3-bis(2-ethoxy-2-oxopropyl)-imidazol-2-ylidine)- palladium(II)","","- C26 H40 Cl2 N4 O8 Pd -","- C26 H40 Cl2 N4 O8 Pd -","- C104 H160 Cl8 N16 O32 Pd4 -","4","0.5","","Steeples, Elliot; Kelling, Alexandra; Schilde, Uwe; Esposito, Davide","Amino acid-derived N-heterocyclic carbene palladium complexes for aqueous phase Suzuki‒Miyaura couplings","New J. Chem.","2016","40","6","4922","","10.1039/C5NJ03337C","","","0.71073","MoKα","","0.0251","0.0234","","","0.0601","0.061","","","","","","1.052","","","","has coordinates","183735","2020-10-21","18:00:00",""
"7055439","11.7256","0.0004","23.0938","0.0008","9.0944","0.0006","90","","99.52","0.004","90","","2428.7","0.2","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-dichlorido-(1,3-bis(2-ethoxy-2-oxoethyl)-imidazol-2-ylidine)- pyridine-palladium(II) chloroform solvate","","- C17 H22 Cl5 N3 O4 Pd -","- C17 H22 Cl5 N3 O4 Pd -","- C68 H88 Cl20 N12 O16 Pd4 -","4","1","","Steeples, Elliot; Kelling, Alexandra; Schilde, Uwe; Esposito, Davide","Amino acid-derived N-heterocyclic carbene palladium complexes for aqueous phase Suzuki‒Miyaura couplings","New J. Chem.","2016","40","6","4922","","10.1039/C5NJ03337C","","","0.71073","MoKα","","0.0327","0.0241","","","0.0581","0.0613","","","","","","1.015","","","","has coordinates","183735","2020-10-21","18:00:00",""
"7055440","9.4985","0.0008","9.7104","0.0007","12.2951","0.001","93.265","0.006","95.848","0.006","98.828","0.006","1111.72","0.15","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","trans-dichlorido-(1,3-bis(2-ethoxy-2-oxopropyl)-imidazol-2-ylidine)- pyridine-palladium(II) chloroform solvate","","- C18 H25 Cl2 N3 O4 Pd -","- C18 H25 Cl2 N3 O4 Pd -","- C36 H50 Cl4 N6 O8 Pd2 -","2","1","","Steeples, Elliot; Kelling, Alexandra; Schilde, Uwe; Esposito, Davide","Amino acid-derived N-heterocyclic carbene palladium complexes for aqueous phase Suzuki‒Miyaura couplings","New J. Chem.","2016","40","6","4922","","10.1039/C5NJ03337C","","","0.71073","MoKα","","0.0213","0.0194","","","0.0525","0.0533","","","","","","1.059","","","","has coordinates","183735","2020-10-21","18:00:00",""
"7055441","12.1184","0.0007","17.2908","0.0011","13.0821","0.0009","90","","100.846","0.004","90","","2692.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N3 O4 -","- C34 H29 N3 O4 -","- C136 H116 N12 O16 -","4","1","","Mathusalini, Sadasivam; Arasakumar, Thangaraj; Lakshmi, Krishnasamy; Lin, Chia-Her; Mohan, Palathurai Subramaniam; Ramnath, Madhusudhanan Gogul; Thirugnanasampandan, Ramaraj","Synthesis and biological evaluation of new spirooxindoles with embedded pharmacophores","New J. Chem.","2016","40","6","5164","","10.1039/C6NJ00534A","","","0.71073","MoKα","","0.0798","0.0505","","","0.1104","0.1255","","","","","","1.04","","","","has coordinates","183732","2020-10-21","18:00:00",""
"7055442","12.0551","0.0003","18.3685","0.0004","12.3323","0.0003","90","","90.898","0.001","90","","2730.46","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 O4 -","- C30 H26 N4 O4 -","- C120 H104 N16 O16 -","4","1","","Mathusalini, Sadasivam; Arasakumar, Thangaraj; Lakshmi, Krishnasamy; Lin, Chia-Her; Mohan, Palathurai Subramaniam; Ramnath, Madhusudhanan Gogul; Thirugnanasampandan, Ramaraj","Synthesis and biological evaluation of new spirooxindoles with embedded pharmacophores","New J. Chem.","2016","40","6","5164","","10.1039/C6NJ00534A","","","0.71073","MoKα","","0.0913","0.0533","","","0.1195","0.1326","","","","","","0.994","","","","has coordinates","183732","2020-10-21","18:00:00",""
"7055443","4.6149","0.0007","4.6149","0.0007","18.72","0.004","90","","90","","120","","345.27","0.1","153.15","","153.15","","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Al4.68 B8 La2 O22 -","- Al4.68 B8 La2 O22 -","- Al4.68 B8 La2 O22 -","1","0.0833333","","Guo, Shu; Liu, Lijuan; Xia, Mingjun; Wang, Xiaoyang; Bai, Lei; Xu, Bo; Huang, Qian; Chen, Chuangtian","Crystal growth, structure and optical properties of a new acentric crystal La2Al4.68B8O22with a short UV absorption edge","New J. Chem.","2016","40","6","4870","","10.1039/C5NJ03646A","","","0.71073","MoKα","","0.0409","0.0379","","","0.1273","0.1322","","","","","","1.234","","","","has coordinates","183725","2020-10-21","18:00:00",""
"7055444","8.8082","0.0004","11.1431","0.0005","13.3105","0.0007","75.168","0.003","85.508","0.002","72.535","0.002","1204.68","0.1","115","2","115","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H35 N5 -","- C27 H35 N5 -","- C54 H70 N10 -","2","1","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.1007","0.0726","","","0.1282","0.1428","","","","","","1.119","","","","has coordinates","185594","2020-10-21","18:00:00",""
"7055445","9.8695","0.0003","12.1158","0.0003","14.4185","0.0005","78.653","0.002","80.247","0.001","73.002","0.002","1605.02","0.09","115","2","115","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H27 N5 -","- C15 H27 N5 -","- C60 H108 N20 -","4","2","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.0752","0.0558","","","0.1051","0.1153","","","","","","1.093","","","","has coordinates","185594","2020-10-21","18:00:00",""
"7055446","16.103","0.005","14.421","0.005","18.511","0.005","90","","90","","90","","4299","2","298","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H31 Cu N7 O8 -","- C15 H31 Cu N7 O8 -","- C120 H248 Cu8 N56 O64 -","8","1","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.1309","0.1076","","","0.2621","0.2768","","","","","","1.139","","","","has coordinates","185594","2020-10-21","18:00:00",""
"7055447","15.5335","0.0005","7.686","0.0002","21.3414","0.0007","90","","91.061","0.001","90","","2547.52","0.13","115","2","115","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N6 -","- C28 H36 N6 -","- C112 H144 N24 -","4","0.5","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.0566","0.0473","","","0.1008","0.106","","","","","","1.093","","","","has coordinates","185594","2020-10-21","18:00:00",""
"7055448","9.3978","0.0004","7.9771","0.0003","33.7475","0.0014","90","","96.782","0.001","90","","2512.25","0.18","115","2","115","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N6 -","- C28 H36 N6 -","- C112 H144 N24 -","4","1","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.0832","0.0627","","","0.119","0.1296","","","","","","1.096","","","","has coordinates","185594","2020-10-21","18:00:00",""
"7055449","9.0052","0.0003","14.4455","0.0004","23.8253","0.0007","90","","90","","90","","3099.31","0.16","115","2","115","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 Cu N8 O7 -","- C29 H40 Cu N8 O7 -","- C116 H160 Cu4 N32 O28 -","4","1","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.1114","0.0778","","","0.1406","0.1621","","","","","","1.224","","","","has coordinates,has disorder","185594","2020-10-21","18:00:00",""
"7055450","8.7485","0.0009","11.5996","0.0013","12.3113","0.0013","109.625","0.0017","101.813","0.0015","104.241","0.0017","1082.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","N,N-dimethylethanol ammonium tetrakis(trifluoroacetato)cerate","","- C12 H12 Ce F12 N O9 -","- C12 H12 Ce F12 N O9 -","- C24 H24 Ce2 F24 N2 O18 -","2","1","","Mansoor, Muhammad Adil; Mazhar, Muhammad; Ebadi, Mehdi; Ming, Huang Nay; Mat Teridi, Mohd Asri; Kong Mun, Lo","Effect of synergic cooperation on optical and photoelectrochemical properties of CeO2‒MnO composite thin films","New J. Chem.","2016","40","6","5177","","10.1039/C5NJ03446A","","","0.71073","MoKα","","0.0372","0.0333","","","0.0798","0.0823","","","","","","1.061","","","","has coordinates,has disorder","183740","2020-10-21","18:00:00",""
"7055451","10.9142","0.0017","13.574","0.002","14.539","0.002","90","","76.691","0.008","90","","2096.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C58 H42 N4 -","- C58 H42 N4 -","- C116 H84 N8 -","2","0.5","","Le Poul, Pascal; Le Poul, Nicolas; Golhen, Stephane; Robin-Le Guen, Françoise; Caro, Bertrand","The synthesis of flexible tetrapyridylethanes from pyridylpyrylium dications","New J. Chem.","2016","40","7","5666","","10.1039/C5NJ03257A","","","0.71073","MoKα","","0.2867","0.0919","","","0.218","0.3083","","","","","","0.935","","","","has coordinates","185592","2020-10-21","18:00:00",""
"7055452","9.899","0.002","10.339","0.002","16.807","0.003","100.87","0.03","99","0.03","98.93","0.03","1637.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Cl N4 O -","- C42 H32 Cl N4 O -","- C84 H64 Cl2 N8 O2 -","2","1","","Khan, Arshad; Wang, Mingliang; Usman, Rabia; Lu, Jiao; Sun, Hao; Du, Man; Zhang, Ruimin; Xu, Chunxiang","Organic charge-transfer complexes for the selective accommodation of aromatic isomers using anthracene derivatives and TCNQ","New J. Chem.","2016","40","6","5277","","10.1039/C5NJ03442F","","","0.71073","MoKα","","0.1915","0.1445","","","0.3293","0.3695","","","","","","1.288","","","","has coordinates","183720","2020-10-21","18:00:00",""
"7055453","9.928","0.002","10.632","0.002","16.282","0.003","76.58","0.03","72.43","0.03","77.68","0.03","1574.6","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 N4 O -","- C39 H32 N4 O -","- C78 H64 N8 O2 -","2","1","","Khan, Arshad; Wang, Mingliang; Usman, Rabia; Lu, Jiao; Sun, Hao; Du, Man; Zhang, Ruimin; Xu, Chunxiang","Organic charge-transfer complexes for the selective accommodation of aromatic isomers using anthracene derivatives and TCNQ","New J. Chem.","2016","40","6","5277","","10.1039/C5NJ03442F","","","0.71073","MoKα","","0.0979","0.0576","","","0.1583","0.1862","","","","","","1.038","","","","has coordinates","183720","2020-10-21","18:00:00",""
"7055454","9.719","0.0019","10.356","0.002","17.804","0.004","74.09","0.03","86.73","0.03","85.69","0.03","1717.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H34 N4 O -","- C43 H34 N4 O -","- C86 H68 N8 O2 -","2","1","","Khan, Arshad; Wang, Mingliang; Usman, Rabia; Lu, Jiao; Sun, Hao; Du, Man; Zhang, Ruimin; Xu, Chunxiang","Organic charge-transfer complexes for the selective accommodation of aromatic isomers using anthracene derivatives and TCNQ","New J. Chem.","2016","40","6","5277","","10.1039/C5NJ03442F","","","0.71073","MoKα","","0.1192","0.0642","","","0.1787","0.2047","","","","","","1.009","","","","has coordinates","183720","2020-10-21","18:00:00",""
"7055455","7.615","0.011","23.48","0.03","36.26","0.05","90","","90","","90","","6483","15","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C H O -","- C1.84293 H1.34031 O0.335079 -","- C352 H256 O64 -","191","23.875","","Wang, Xiu-Zhen; Yang, Hui-Hui; Li, Wei; Han, Bing-Jie; Liu, Yun-Jun","Studies on apoptosis in HeLa cells via the ROS-mediated mitochondrial pathway induced by new dibenzoxanthenes","New J. Chem.","2016","40","6","5255","","10.1039/C6NJ00250A","","","0.71073","MoKα","","0.0594","0.0428","","","0.1075","0.1169","","","","","","1.042","","","","has coordinates","183737","2020-10-21","18:00:00",""
"7055456","7.4491","","10.3933","","11.0563","","90","","109.711","","90","","805.831","","300","2","300","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Al N O8 Si Y4 -","- Al N O8 Si Y4 -","- Al4 N4 O32 Si4 Y16 -","4","1","","Hua, Youjie; Li, Xiaojun; Zhang, Dawei; Ma, Hongping; Deng, Degang; Xu, Shiqing","The crystal structure and luminescence properties of novel Ce3+and Ce3+, Sm3±activated Y4SiAlO8N phosphors for near-UV white LEDs","New J. Chem.","2016","40","6","5458","","10.1039/C5NJ03712C","","","0.71073","","","0.057","","","","","","","","","","","","","","","has coordinates","183729","2020-10-21","18:00:00",""
"7055457","10.091","0.0002","11.388","0.0003","13.479","0.0004","73.422","0.001","69.695","0.001","63.977","0.002","1289.05","0.06","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Y4 -","- C28 H54 N8 O43 Y4 -","- C28 H54 N8 O43 Y4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0875","0.048","","","0.1079","0.1227","","","","","","1.049","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055458","10.305","0.0004","11.599","0.0004","13.731","0.0006","73.85","0.002","70.201","0.002","64.115","0.002","1372.74","0.1","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Yb4 -","- C28 H54 N8 O43 Yb4 -","- C28 H54 N8 O43 Yb4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0538","0.0382","","","0.0887","0.0926","","","","","","0.87","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055459","10.056","0.0003","11.366","0.0003","13.431","0.0002","73.444","0.002","69.55","0.002","63.985","0.001","1276.72","0.06","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Tm4 -","- C28 H54 N8 O43 Tm4 -","- C28 H54 N8 O43 Tm4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0509","0.046","","","0.1018","0.1047","","","","","","1.117","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055460","10.128","0.0002","11.415","0.0003","13.52","0.0004","73.404","0.002","69.808","0.001","63.993","0.002","1301.64","0.06","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Tb4 -","- C28 H54 N8 O43 Tb4 -","- C28 H54 N8 O43 Tb4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.055","0.0412","","","0.0994","0.1081","","","","","","1.046","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055461","10.187","0.0002","11.469","0.0002","13.592","0.0003","73.47","0.001","69.91","0.001","64.02","0.001","1323.68","0.05","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Sm4 -","- C28 H54 N8 O43 Sm4 -","- C28 H54 N8 O43 Sm4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0473","0.0413","","","0.1","0.1058","","","","","","1.117","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055462","10.246","0.0002","11.534","0.0002","13.661","0.0004","73.662","0.001","70.046","0.002","64.068","0.002","1347.95","0.06","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 O43 Pr4 -","- C28 H54 N8 O43 Pr4 -","- C28 H54 N8 O43 Pr4 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0535","0.0389","","","0.0924","0.1019","","","","","","1.039","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055463","10.224","0.0001","11.508","0.0001","13.638","0.0002","73.618","0.001","70.012","0.001","64.048","0.001","1339.14","0.03","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 N8 Nd4 O43 -","- C28 H54 N8 Nd4 O43 -","- C28 H54 N8 Nd4 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0408","0.0368","","","0.0878","0.0901","","","","","","1.111","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055464","10.305","0.0004","11.599","0.0004","13.731","0.0006","73.85","0.002","70.201","0.002","64.115","0.002","1372.74","0.1","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 La4 N8 O43 -","- C28 H54 La4 N8 O43 -","- C28 H54 La4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0333","0.0297","","","0.071","0.073","","","","","","1.124","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055465","10.093","0.0002","11.385","0.0002","13.477","0.0003","73.394","0.001","69.724","0.001","63.98","0.001","1288.88","0.05","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 Ho4 N8 O43 -","- C28 H54 Ho4 N8 O43 -","- C28 H54 Ho4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0381","0.0344","","","0.0928","0.0956","","","","","","1.08","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055466","10.15","0.0002","11.434","0.0002","13.55","0.0002","73.445","0.001","69.841","0.001","63.991","0.001","1309.92","0.04","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 Gd4 N8 O43 -","- C28 H54 Gd4 N8 O43 -","- C28 H54 Gd4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0357","0.0322","","","0.0827","0.0844","","","","","","1.16","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055467","10.109","0.0003","11.399","0.0003","13.499","0.0004","73.409","0.002","69.756","0.002","63.988","0.002","1294.98","0.07","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","Dysuc1","","","- C28 H54 Dy4 N8 O43 -","- C28 H54 Dy4 N8 O43 -","- C28 H54 Dy4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0551","0.0374","","","0.086","0.0956","","","","","","1.047","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055468","10.074","0.0002","11.371","0.0003","13.456","0.0003","73.413","0.002","69.658","0.001","63.977","0.001","1282.48","0.05","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 Er4 N8 O43 -","- C28 H54 Er4 N8 O43 -","- C28 H54 Er4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0427","0.0388","","","0.0967","0.0988","","","","","","1.101","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055469","10.274","0.0002","11.564","0.0001","13.69","0.0002","73.749","0.001","70.114","0.001","64.092","0.001","1359.13","0.04","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 Ce4 N8 O43 -","- C28 H54 Ce4 N8 O43 -","- C28 H54 Ce4 N8 O43 -","1","0.5","","Lahoud, Marcelo G.; Muniz, Elaine C.; Arroyos, Guilherme; Fávaro, Marcelo A.; Davolos, Marian R.; D'Vries, Richard F.; Ellena, Javier; Freitas, Rafael S.; Arrighi, Everton; Frem, Regina C. G.","Rare earth coordination dinuclear compounds constructed from 3,5-dicarboxypyrazolate and succinate intermetallic bridges","New J. Chem.","2016","40","6","5338","","10.1039/C6NJ00140H","","","0.71073","MoKα","","0.0409","0.0368","","","0.0948","0.099","","","","","","1.039","","","","has coordinates","183738","2020-10-21","18:00:00",""
"7055470","20.469","0.004","10.079","0.002","6.722","0.0013","90","","90","","90","","1386.8","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H12 B F2 N3 O -","- C17 H12 B F2 N3 O -","- C68 H48 B4 F8 N12 O4 -","4","1","","Sharma, Ritambhara; Lakshmi, Vellanki; Chatterjee, Tamal; Ravikanth, Mangalampalli","Effects of five membered aromatic heterocycles at the meso-position on the electronic properties of 3-pyrrolyl BODIPY","New J. Chem.","2016","40","7","5855","","10.1039/C6NJ00118A","","","0.71073","MoKα","","0.0557","0.0517","","","0.1406","0.1459","","","","","","0.986","","","","has coordinates","185570","2020-10-21","18:00:00",""
"7055471","12.1337","0.0007","13.0987","0.0008","25.2928","0.0015","90","","90","","90","","4019.9","0.4","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H36 Cu F3 N4 P2 -","- C45 H36 Cu F3 N4 P2 -","- C180 H144 Cu4 F12 N16 P8 -","4","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.0658","0.0477","","","0.1077","0.1162","","","","","","1.021","","","","has coordinates","183721","2020-10-21","18:00:00",""
"7055472","13.0739","0.0007","21.8016","0.0011","14.4235","0.0008","90","","103.883","0.001","90","","3991.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Cu F3 N4 P2 -","- C45 H36 Cu F3 N4 P2 -","- C180 H144 Cu4 F12 N16 P8 -","4","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.0657","0.0465","","","0.1066","0.1212","","","","","","1.059","","","","has coordinates,has disorder","183721","2020-10-21","18:00:00",""
"7055473","12.1405","0.0009","12.9183","0.001","25.384","0.002","90","","90","","90","","3981.1","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H36 Cu F3 N4 P2 -","- C45 H36 Cu F3 N4 P2 -","- C180 H144 Cu4 F12 N16 P8 -","4","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.0663","0.0574","","","0.1137","0.1176","","","","","","1.183","","","","has coordinates","183721","2020-10-21","18:00:00",""
"7055474","37.228","0.003","15.266","0.0012","19.6526","0.0016","90","","120.178","0.002","90","","9655.3","1.4","300","2","300","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H39 Cl3 Cu F3 N4 O4 P2 -","- C46 H39 Cl3 Cu F3 N4 O4 P2 -","- C368 H312 Cl24 Cu8 F24 N32 O32 P16 -","8","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.1978","0.1079","","","0.2317","0.2876","","","","","","1.087","","","","has coordinates,has disorder","183721","2020-10-21","18:00:00",""
"7055475","10.4274","0.0004","15.7685","0.0007","27.1531","0.0012","90","","100.535","0.001","90","","4389.4","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H37 Cl Cu F3 N4 O4 P2 -","- C45 H37 Cl Cu F3 N4 O4 P2 -","- C180 H148 Cl4 Cu4 F12 N16 O16 P8 -","4","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.0809","0.0592","","","0.1563","0.1737","","","","","","1.044","","","","has coordinates","183721","2020-10-21","18:00:00",""
"7055476","9.107","0.0006","13.0905","0.0009","25.3601","0.0018","85.276","0.005","82.088","0.003","84.915","0.004","2975.2","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H56 Cl10 Cu2 N8 O4 S4 -","- C48 H56 Cl10 Cu2 N8 O4 S4 -","- C96 H112 Cl20 Cu4 N16 O8 S8 -","2","1","","Selvakumaran, Nagamani; Sandhiya, Lakshmanan; Bhuvanesh, Nattamai S. P.; Senthilkumar, Kittusamy; Karvembu, Ramasamy","Structural diversity in aroylthiourea copper complexes ‒ formation and biological evaluation of [Cu(i)(μ-S)SCl]2, cis-Cu(ii)S2O2, trans-Cu(ii)S2O2and Cu(i)S3cores","New J. Chem.","2016","40","6","5401","","10.1039/C5NJ03536H","","","1.54178","CuKα","","0.0462","0.0371","","","0.0963","0.1009","","","","","","1.045","","","","has coordinates","183723","2020-10-21","18:00:00",""
"7055477","8.5233","0.0006","13.2721","0.0009","13.6992","0.0009","70.31","0.004","82.388","0.004","74.666","0.004","1405.52","0.17","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cl4 Cu N4 O2 S2 -","- C24 H26 Cl4 Cu N4 O2 S2 -","- C48 H52 Cl8 Cu2 N8 O4 S4 -","2","1","","Selvakumaran, Nagamani; Sandhiya, Lakshmanan; Bhuvanesh, Nattamai S. P.; Senthilkumar, Kittusamy; Karvembu, Ramasamy","Structural diversity in aroylthiourea copper complexes ‒ formation and biological evaluation of [Cu(i)(μ-S)SCl]2, cis-Cu(ii)S2O2, trans-Cu(ii)S2O2and Cu(i)S3cores","New J. Chem.","2016","40","6","5401","","10.1039/C5NJ03536H","","","1.54178","CuKα","","0.0419","0.0393","","","0.1011","0.1023","","","","","","1.132","","","","has coordinates","183723","2020-10-21","18:00:00",""
"7055478","13.7134","0.001","13.7134","0.001","53.18","0.007","90","","90","","120","","8661","1.4","110","2","110","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H66 Cl7 Cu N6 O3 S3 -","- C48 H66 Cl7 Cu N6 O3 S3 -","- C288 H396 Cl42 Cu6 N36 O18 S18 -","6","0.333333","","Selvakumaran, Nagamani; Sandhiya, Lakshmanan; Bhuvanesh, Nattamai S. P.; Senthilkumar, Kittusamy; Karvembu, Ramasamy","Structural diversity in aroylthiourea copper complexes ‒ formation and biological evaluation of [Cu(i)(μ-S)SCl]2, cis-Cu(ii)S2O2, trans-Cu(ii)S2O2and Cu(i)S3cores","New J. Chem.","2016","40","6","5401","","10.1039/C5NJ03536H","","","0.71073","MoKα","","0.0553","0.0446","","","0.1134","0.1188","","","","","","1.103","","","","has coordinates,has disorder","183723","2020-10-21","18:00:00",""
"7055479","9.887","0.004","19.632","0.007","10.33","0.004","90","","111.326","0.004","90","","1867.8","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl4 Cu N4 O2 S2 -","- C32 H42 Cl4 Cu N4 O2 S2 -","- C64 H84 Cl8 Cu2 N8 O4 S4 -","2","0.5","","Selvakumaran, Nagamani; Sandhiya, Lakshmanan; Bhuvanesh, Nattamai S. P.; Senthilkumar, Kittusamy; Karvembu, Ramasamy","Structural diversity in aroylthiourea copper complexes ‒ formation and biological evaluation of [Cu(i)(μ-S)SCl]2, cis-Cu(ii)S2O2, trans-Cu(ii)S2O2and Cu(i)S3cores","New J. Chem.","2016","40","6","5401","","10.1039/C5NJ03536H","","","0.71073","MoKα","","0.0322","0.0288","","","0.0747","0.0773","","","","","","1.049","","","","has coordinates","183723","2020-10-21","18:00:00",""
"7055480","19.109","0.004","8.808","0.0018","20.086","0.004","90","","90","","90","","3380.7","1.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C144 H120 Cl8 N16 O16 S8 -","8","2","","Sharafi-Kolkeshvandi, Mahnaz; Nematollahi, Davood; Nikpour, Farzad; Salahifar, Eslam","Electrochemical synthesis of 1-N-phenyl-4-(sulfonyl)benzene-1,2-diamine derivatives: a mild and regioselective protocol","New J. Chem.","2016","40","6","5442","","10.1039/C5NJ03514G","","","0.71073","MoKα","","0.0549","0.0344","","","0.0617","0.0654","","","","","","0.852","","","","has coordinates","183724","2020-10-21","18:00:00",""
"7055481","14.054","0.002","14.054","0.002","14.669","0.003","90","","90","","120","","2509.2","0.7","100","2","100","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Co2 K7 O112 U24 -","- Co2 K7 O112 U24 -","- Co2 K7 O112 U24 -","1","0.166667","","Zhang, Yingjie; Čejka, Jiří; Lumpkin, Gregory R.; Tran, Toan Trong; Aharonovich, Igor; Karatchevtseva, Inna; Price, Jason R.; Scales, Nicholas; Lu, Kim","Hydrothermal synthesis, structures and properties of two uranyl oxide hydroxyl hydrate phases with Co(ii) or Ni(ii) ions","New J. Chem.","2016","40","6","5357","","10.1039/C5NJ03055B","","","0.7294","Synchrotron","","0.0286","0.0284","","","0.0689","0.069","","","","","","1.13","","","","has coordinates","183726","2020-10-21","18:00:00",""
"7055482","14.042","0.002","14.042","0.002","14.643","0.003","90","","90","","120","","2500.5","0.7","100","2","100","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- K7 Ni2 O112 U24 -","- K7 Ni2 O112 U24 -","- K7 Ni2 O112 U24 -","1","0.166667","","Zhang, Yingjie; Čejka, Jiří; Lumpkin, Gregory R.; Tran, Toan Trong; Aharonovich, Igor; Karatchevtseva, Inna; Price, Jason R.; Scales, Nicholas; Lu, Kim","Hydrothermal synthesis, structures and properties of two uranyl oxide hydroxyl hydrate phases with Co(ii) or Ni(ii) ions","New J. Chem.","2016","40","6","5357","","10.1039/C5NJ03055B","","","0.7294","Synchrotron","","0.026","0.026","","","0.0637","0.0637","","","","","","1.109","","","","has coordinates","183726","2020-10-21","18:00:00",""
"7055483","6.7527","0.0002","12.1817","0.0004","13.4598","0.0005","70.658","0.001","76.203","0.001","86.532","0.001","1014.35","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N4 O10 V -","- C16 H20 N4 O10 V -","- C32 H40 N8 O20 V2 -","2","1","","Fernández, Belén; Gómez-Vílchez, Alejandro; Sánchez-González, Cristina; Bayón, Jakelhyne; San Sebastián, Eider; Gómez-Ruiz, Santiago; López-Chaves, Carlos; Aranda, Pilar; Llopis, Juan; Rodríguez-Diéguez, Antonio","Novel anti-diabetic and luminescent coordination compounds based on vanadium","New J. Chem.","2016","40","6","5387","","10.1039/C5NJ02907D","","","0.71073","MoKα","","0.0348","0.0283","","","0.0685","0.0715","","","","","","1.052","","","","has coordinates","183728","2020-10-21","18:00:00",""
"7055484","9.1728","0.0007","23.781","0.002","8.3034","0.0007","90","","93.441","0.001","90","","1808","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N4 O10 V -","- C12 H20 N4 O10 V -","- C48 H80 N16 O40 V4 -","4","1","","Fernández, Belén; Gómez-Vílchez, Alejandro; Sánchez-González, Cristina; Bayón, Jakelhyne; San Sebastián, Eider; Gómez-Ruiz, Santiago; López-Chaves, Carlos; Aranda, Pilar; Llopis, Juan; Rodríguez-Diéguez, Antonio","Novel anti-diabetic and luminescent coordination compounds based on vanadium","New J. Chem.","2016","40","6","5387","","10.1039/C5NJ02907D","","","0.71069","MoKα","","0.0403","0.0342","","","0.0893","0.0932","","","","","","1.068","","","","has coordinates","183728","2020-10-21","18:00:00",""
"7055485","23.9537","0.0005","41.5149","0.0009","23.8634","0.0004","90","","108.316","0.002","90","","22528.4","0.8","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C96 H104 F15 N18.5 O32.5 P2.5 Ru3 Tb -","- C96 H66 F15 N18.5 O32.5 P2.5 Ru3 Tb -","- C768 H528 F120 N148 O260 P20 Ru24 Tb8 -","8","1","","Zhang, Lu-Yin; Li, Kang; Pan, Mei; Fan, Ya-Nan; Wang, Hai-Ping; Su, Cheng-Yong","Observation of cascade f →d →f energy transfer in sensitizing near-infrared (NIR) lanthanide complexes containing the Ru(ii) polypyridine metalloligand","New J. Chem.","2016","40","6","5379","","10.1039/C6NJ00089D","","","1.54178","CuKα","","0.1222","0.0826","","","0.2135","0.2516","","","","","","1.035","","","","has coordinates","183734","2020-10-21","18:00:00",""
"7055486","28.487","0.002","24.612","0.004","12.984","0.005","90","","90","","90","","9103","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H112 Cl6 Cu6 N24 O29 -","- C60 H112 Cl6 Cu6 N24 O29 -","- C240 H448 Cl24 Cu24 N96 O116 -","4","0.5","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","","0.71073","MoKα","","0.2355","0.0811","","","0.2095","0.2836","","","","","","0.889","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055487","8.919","0.0003","9.336","0.0004","9.741","0.0003","65.97","0.002","89.173","0.002","70.563","0.002","691.66","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H38 Cl2 N8 O8 -","- C20 H38 Cl2 N8 O8 -","- C20 H38 Cl2 N8 O8 -","1","0.5","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","","0.71073","MoKα","","0.0644","0.0507","","","0.1291","0.1403","","","","","","1.033","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055488","23.503","0.0007","14.462","0.0004","17.167","0.0004","90","","101.723","0.001","90","","5713.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H70 Cl4 Cu4 N16 O17 -","- C40 H70 Cl4 Cu4 N16 O17 -","- C160 H280 Cl16 Cu16 N64 O68 -","4","0.5","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","","0.71073","MoKα","","0.1107","0.0717","","","0.1991","0.2247","","","","","","1.038","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055489","28.221","0.003","24.265","0.01","12.8478","0.0009","90","","90","","90","","8798","4","120","0.1","120","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C120 H228 Cl12 Cu12 N48 O61 -","- C120 H228 Cl12 Cu12 N48 O61 -","- C240 H456 Cl24 Cu24 N96 O122 -","2","0.25","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","x-ray","0.71073","MoKα","","0.2546","0.0996","","","0.2376","0.3457","","","","","","1.016","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055490","12.0759","0.0005","14.4835","0.0006","18.6853","0.0008","88.419","0.003","80.246","0.004","70.061","0.004","3026.2","0.2","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H76 Cl4 Cu4 N16 O20 -","- C40 H76 Cl4 Cu4 N16 O20 -","- C80 H152 Cl8 Cu8 N32 O40 -","2","1","","Pitarch-Jarque, Javier; Belda, Raquel; Blasco, Salvador; Navarro, Pilar; Tejero, Roberto; Junquera-Hernández, José Miguel; Pérez-Mondéjar, Vicente; García-España, Enrique","A water molecule in the interior of a 1H-pyrazole Cu2+metallocage","New J. Chem.","2016","40","7","5670","","10.1039/C5NJ03234B","","","0.7107","MoKα","","0.0628","0.0475","","","0.1167","0.1309","","","","","","1.045","","","","has coordinates,has disorder","185597","2020-10-21","18:00:00",""
"7055491","15.483","0.003","5.4173","0.001","19.632","0.003","90","","114.484","0.012","90","","1498.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N9 O10 -","- C8 H11 N9 O10 -","- C32 H44 N36 O40 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le","Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties","New J. Chem.","2016","40","6","5414","","10.1039/C6NJ00308G","","","0.71073","MoKα","","0.1109","0.0544","","","0.1211","0.1514","","","","","","1.001","","","","has coordinates","183722","2020-10-21","18:00:00",""
"7055492","8.0048","0.0018","11.527","0.002","13.178","0.002","69.469","0.009","73.214","0.009","80.053","0.01","1086.7","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N12 O15 -","- C14 H14 N12 O15 -","- C28 H28 N24 O30 -","2","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le","Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties","New J. Chem.","2016","40","6","5414","","10.1039/C6NJ00308G","","","0.71073","MoKα","","0.0833","0.0544","","","0.1486","0.2111","","","","","","1.095","","","","has coordinates","183722","2020-10-21","18:00:00",""
"7055493","7.9601","0.0018","15.917","0.004","7.096","0.0016","90","","106.398","0.003","90","","862.5","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N8 O6 -","- C2 H8 N8 O6 -","- C8 H32 N32 O24 -","4","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le","Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties","New J. Chem.","2016","40","6","5414","","10.1039/C6NJ00308G","","","0.71073","MoKα","","0.0411","0.0342","","","0.0754","0.079","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7055494","12.455","0.004","7.156","0.002","22.215","0.007","90","","103.497","0.004","90","","1925.3","1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N10 O3 -","- C4 H8 N10 O3 -","- C32 H64 N80 O24 -","8","2","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le","Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties","New J. Chem.","2016","40","6","5414","","10.1039/C6NJ00308G","","","0.71073","MoKα","","0.0812","0.0587","","","0.1455","0.1631","","","","","","0.997","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7055495","7.972","0.0006","8.1923","0.0008","10.269","0.0009","90.378","0.001","110.218","0.002","115.52","0.002","558.28","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N16 O2 -","- C4 H8 N16 O2 -","- C8 H16 N32 O4 -","2","1","","Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le","Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties","New J. Chem.","2016","40","6","5414","","10.1039/C6NJ00308G","","","0.71073","MoKα","","0.1465","0.0996","","","0.279","0.3041","","","","","","1.052","","","","has coordinates","183722","2020-10-21","18:00:00",""
"7055496","15.27","0.004","9.4879","0.0019","33.952","0.006","90","","90","","90","","4919","1.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-(3-cyano-6-methyl-2-oxo-4-phenylpyridin-1(2H)-yl)propoxy)-4-methyl-6-phenylnicotinonitrile","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C232 H192 N32 O16 -","8","1","","Rai, Sunil K.; Singh, Praveen; Khanam, Shaziya; Tewari, Ashish K.","Polymorphic study and anti-inflammatory activity of a 3-cyano-2-pyridone based flexible model","New J. Chem.","2016","40","6","5577","","10.1039/C5NJ03683F","","","0.71073","MoKα","","0.1471","0.0786","","","0.1839","0.2383","","","","","","1.027","","","","has coordinates","183727","2020-10-21","18:00:00",""
"7055497","7.2217","0.0006","14.0412","0.0013","24.134","0.002","90","","95.641","0.009","90","","2435.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-(3-cyano-6-methyl-2-oxo-4-phenylpyridin-1(2H)-yl)propoxy)-4-methyl-6-phenylnicotinonitrile","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C116 H96 N16 O8 -","4","1","","Rai, Sunil K.; Singh, Praveen; Khanam, Shaziya; Tewari, Ashish K.","Polymorphic study and anti-inflammatory activity of a 3-cyano-2-pyridone based flexible model","New J. Chem.","2016","40","6","5577","","10.1039/C5NJ03683F","","","0.71073","MoKα","","0.0956","0.0531","","","0.1172","0.1393","","","","","","0.992","","","","has coordinates","183727","2020-10-21","18:00:00",""
"7055498","10.5846","0.0004","7.6098","0.0003","21.9235","0.001","90","","100.651","0.002","90","","1735.44","0.12","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mono BODIPY of 1,4-di(2-pyridyl)aminophthalazine","","","- C18 H15 B F2 N6 O -","- C18 H15 B F2 N6 O -","- C72 H60 B4 F8 N24 O4 -","4","1","","Vuong, Thi Minh Ha; Weimmerskirch-Aubatin, Jennifer; Lohier, Jean-François; Bar, Nathalie; Boudin, Sophie; Labbé, Christophe; Gourbilleau, Fabrice; Nguyen, Hien; Dang, Tung Thanh; Villemin, Didier","Blue highly fluorescent boron difluoride complexes based on phthalazine‒pyridine","New J. Chem.","2016","40","7","6070","","10.1039/C6NJ00726K","","","0.71073","MoKα","","0.0506","0.0388","","","0.0996","0.1076","","","","","","1.034","","","","has coordinates","185567","2020-10-21","18:00:00",""
"7055499","18.6371","0.0006","7.9394","0.0002","23.778","0.0008","90","","92.779","0.002","90","","3514.23","0.19","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cu N6 O13 P2 -","- C32 H36 Cu N6 O13 P2 -","- C128 H144 Cu4 N24 O52 P8 -","4","1","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","0.71073","MoKα","","0.0567","0.0403","","","0.0966","0.1055","","","","","","1.079","","","","has coordinates,has disorder","185579","2020-10-21","18:00:00",""
"7055500","15.6819","0.0007","10.5814","0.0005","25.5715","0.0014","90","","90","","90","","4243.2","0.4","115","","115","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cu N4 O9 P -","- C16 H17 Cu N4 O9 P -","- C128 H136 Cu8 N32 O72 P8 -","8","1","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","0.71073","MoKα","","0.0572","0.0362","","","0.0803","0.0889","","","","","","1.03","","","","has coordinates,has disorder","185579","2020-10-21","18:00:00",""
"7055501","7.7003","0.0006","9.8407","0.0008","17.8602","0.0016","105.813","0.002","92.591","0.003","90.967","0.002","1300.23","0.19","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cu2 N8 O24 P4 -","- C40 H52 Cu2 N8 O24 P4 -","- C40 H52 Cu2 N8 O24 P4 -","1","0.5","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","0.71073","MoKα","","0.0471","0.0319","","","0.0792","0.0867","","","","","","1.039","","","","has coordinates","185579","2020-10-21","18:00:00",""
"7055502","9.6399","0.0012","12.1111","0.0014","12.1162","0.0016","77.046","0.006","88.932","0.006","77.832","0.006","1347","0.3","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cu2 N8 O24 P4 -","- C40 H52 Cu2 N8 O24 P4 -","- C40 H52 Cu2 N8 O24 P4 -","1","0.5","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","0.71073","MoKα","","0.0495","0.0336","","","0.0756","0.0813","","","","","","1.05","","","","has coordinates","185579","2020-10-21","18:00:00",""
"7055503","16.2508","0.0006","9.204","0.0004","34.9028","0.0015","90","","90","","90","","5220.5","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cu N4 O12 P2 -","- C20 H26 Cu N4 O12 P2 -","- C160 H208 Cu8 N32 O96 P16 -","8","1","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","1.54178","CuKα","","0.1029","0.0994","","","0.2459","0.248","","","","","","1.181","","","","has coordinates,has disorder","185579","2020-10-21","18:00:00",""
"7055504","12.7108","0.0004","22.8673","0.0005","14.7326","0.0003","90","","94.369","0.002","90","","4269.76","0.19","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","di-(μ~2~-2,6-diacetylpyridine bis(3-chloropyridazine-6-hydrazonato))- μ~2~-peroxido-di-cobalt(III)) tetrahydrate","di-(μ~2~-2,6-diacetylpyridine bis(3-chloropyridazine-6-hydrazonato))- μ~2~-peroxido-di-cobalt(III)) tetrahydrate","","- C34 H34 Cl4 Co2 N18 O6 -","- C34 H26 Cl4 Co2 N18 O6 -","- C136 H104 Cl16 Co8 N72 O24 -","4","0.5","","Barta Holló, B.; Magyari, J.; Armaković, S.; Bogdanović, G. A.; Rodić, M. V.; Armaković, S. J.; Molnár, J.; Spengler, G.; Leovac, V. M.; Mészáros Szécsényi, K.","Coordination compounds of a hydrazone derivative with Co(iii), Ni(ii), Cu(ii) and Zn(ii): synthesis, characterization, reactivity assessment and biological evaluation","New J. Chem.","2016","40","7","5885","","10.1039/C6NJ00560H","","","0.71073","MoKα","","0.0548","0.0375","","","0.0934","0.1007","","","","","","1.053","","","","has coordinates","185590","2020-10-21","18:00:00",""
"7055505","32.5727","0.0006","11.6539","0.0003","22.851","0.0005","90","","92.546","0.002","90","","8665.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5a","","- C39 H68 Fe N12 P4 -","- C39 H68 Fe N12 P4 -","- C312 H544 Fe8 N96 P32 -","8","1","","Okumuş, Aytuğ; Elmas, Gamze; Cemaloğlu, Reşit; Aydın, Betül; Binici, Arzu; Şimşek, Hülya; Açık, Leyla; Türk, Mustafa; Güzel, Remziye; Kılıç, Zeynel; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 35. Syntheses, spectroscopic and electrochemical properties, and antituberculosis, antimicrobial and cytotoxic activities of mono-ferrocenyl-spirocyclotetraphosphazenes","New J. Chem.","2016","40","6","5588","","10.1039/C6NJ00204H","","","0.71073","MoKα","","0.0478","0.039","","","0.0942","0.0995","","","","","","1.037","","","","has coordinates","183736","2020-10-21","18:00:00",""
"7055506","33.4714","0.0006","11.0459","0.0003","23.2196","0.0004","90","","94.801","0.002","90","","8554.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4a","","- C38 H66 Fe N12 P4 -","- C38 H66 Fe N12 P4 -","- C304 H528 Fe8 N96 P32 -","8","1","","Okumuş, Aytuğ; Elmas, Gamze; Cemaloğlu, Reşit; Aydın, Betül; Binici, Arzu; Şimşek, Hülya; Açık, Leyla; Türk, Mustafa; Güzel, Remziye; Kılıç, Zeynel; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 35. Syntheses, spectroscopic and electrochemical properties, and antituberculosis, antimicrobial and cytotoxic activities of mono-ferrocenyl-spirocyclotetraphosphazenes","New J. Chem.","2016","40","6","5588","","10.1039/C6NJ00204H","","","0.71073","MoKα","","0.0797","0.0624","","","0.1612","0.1751","","","","","","1.031","","","","has coordinates","183736","2020-10-21","18:00:00",""
"7055507","8.2316","0.0005","9.5937","0.0005","12.7855","0.0007","93.595","0.004","102.892","0.005","96.844","0.004","973.06","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-(3,5-dinitropyrazol-1-yl)-2-nitrazapropane","","- C5 H6 N6 O6 -","- C5 H6 N6 O6 -","- C20 H24 N24 O24 -","4","2","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.048","0.0316","","","0.0755","0.0797","","","","","","0.943","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055508","17.1342","0.0016","9.368","0.0008","12.5388","0.0012","90","","107.4","0.01","90","","1920.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3,4-dinitropyrazol-1-yl)-2-nitrazapropane","","- C5 H6 N6 O6 -","- C5 H6 N6 O6 -","- C40 H48 N48 O48 -","8","2","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71069","MoKα","","0.1104","0.0375","","","0.0492","0.0575","","","","","","0.728","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055509","8.5617","0.0009","9.3986","0.0009","9.7876","0.001","113.277","0.009","106.073","0.009","92.266","0.008","685.23","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-(3,4,4'-Trinitro-1,3'-bipyrazol-2'-yl)-2-nitrazapropane","","- C8 H7 N9 O8 -","- C8 H7 N9 O8 -","- C16 H14 N18 O16 -","2","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.068","0.0356","","","0.064","0.0696","","","","","","0.822","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055510","5.6441","0.0006","12.082","0.0012","15.3446","0.0015","90","","98.068","0.01","90","","1036.02","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-chloro-3,4-dinitropyrazol-1-yl)-2-nitrazapropane","","- C5 H5 Cl N6 O6 -","- C5 H5 Cl N6 O6 -","- C20 H20 Cl4 N24 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0647","0.0335","","","0.0669","0.0723","","","","","","0.849","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055511","6.3027","0.0008","6.8628","0.0008","10.6253","0.0014","72.876","0.011","87.968","0.011","77.54","0.011","428.68","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","ANTAnap","1-(5-amino-3-nitro-1,2,4-triazol-1-yl)-2-nitrazapropane","","- C4 H7 N7 O4 -","- C4 H7 N7 O4 -","- C8 H14 N14 O8 -","2","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0466","0.0332","","","0.0755","0.0839","","","","","","1.073","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055512","17.5192","0.0017","6.4082","0.0006","14.2","0.0014","90","","99.184","0.009","90","","1573.7","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DNBTdinap","5,5-bis(1-(2-aza-2-nitropropanyl)-3-nitro-1,2,4-triazole","","- C8 H10 N12 O8 -","- C8 H10 N12 O8 -","- C32 H40 N48 O32 -","4","0.5","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0627","0.0411","","","0.0895","0.1022","","","","","","1.043","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055513","15.9508","0.0016","5.6426","0.0007","10.6832","0.0011","90","","97.579","0.009","90","","953.13","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-amino-3,5-dinitropyrazol-1-yl)-2-nitrazapropane","","- C5 H7 N7 O6 -","- C5 H7 N7 O6 -","- C20 H28 N28 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0591","0.0433","","","0.0946","0.1081","","","","","","1.104","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055514","15.831","0.004","7.0572","0.0007","11.133","0.003","90","","132.07","0.04","90","","923.3","0.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-(3,5-Dinitro-1,2,4-triazol-1-yl)-2-nitrazapropane","","- C4 H5 N7 O6 -","- C4 H5 N7 O6 -","- C16 H20 N28 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71069","MoKα","","0.0472","0.0306","","","0.0515","0.0547","","","","","","0.895","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055515","5.7787","0.0008","20.764","0.003","7.719","0.0011","90","","92.393","0.012","90","","925.4","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-(4,5-dinitroimidazol-1-yl)-2-nitrazapropane","","- C5 H6 N6 O6 -","- C5 H6 N6 O6 -","- C20 H24 N24 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71069","MoKα","","0.0653","0.0388","","","0.0782","0.0834","","","","","","0.861","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055516","11.4913","0.0012","6.9525","0.0005","12.8652","0.0011","90","","113.537","0.01","90","","942.33","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,4-dinitroimidazol-1-yl)-2-nitrazapropane","","- C5 H6 N6 O6 -","- C5 H6 N6 O6 -","- C20 H24 N24 O24 -","4","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0635","0.0322","","","0.063","0.068","","","","","","0.835","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055517","10.828","0.002","5.5849","0.0011","12.363","0.003","90","","107.59","0.03","90","","712.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4-bis(methyl(nitro)amino)methyl)-3-nitro-1,2,4-triazol-5-one","","- C6 H11 N9 O10 -","- C6 H11 N9 O10 -","- C12 H22 N18 O20 -","2","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0529","0.0349","","","0.0577","0.0611","","","","","","0.865","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055518","6.761","0.0006","5.5064","0.0006","11.3925","0.001","90","","97.072","0.009","90","","420.9","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(3-nitro-1H-1,2,4-triazol-5-on-4-yl)-2-nitrazapropane","","- C4 H6 N6 O5 -","- C4 H6 N6 O5 -","- C8 H12 N12 O10 -","2","1","","Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg","Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines","New J. Chem.","2016","40","7","6059","","10.1039/C6NJ00202A","","","0.71073","MoKα","","0.0567","0.0344","","","0.0488","0.0527","","","","","","0.84","","","","has coordinates","185599","2020-10-21","18:00:00",""
"7055519","11.1967","0.0004","11.1967","0.0004","44.0828","0.0016","90","","90","","120","","4786.1","0.3","273","","273","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36.5 H29.5 N3 O7 Zn -","- C36.5 H29.5 N3 O7 Zn -","- C219 H177 N18 O42 Zn6 -","6","0.5","","Tanaka, Koichi; Hotta, Naoki; Nagase, Shohei; Yoza, Kenji","Efficient HPLC enantiomer separation using a pillared homochiral metal‒organic framework as a novel chiral stationary phase","New J. Chem.","2016","40","6","4891","","10.1039/C6NJ00090H","","","1.54178","CuKα","","0.0271","0.0269","","","0.073","0.0731","","","","","","1.106","","","","has coordinates,has disorder","183741","2020-10-21","18:00:00",""
"7055520","21.9801","0.001","13.6765","0.0006","25.5651","0.0011","90","","102.217","0.002","90","","7511.1","0.6","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H53 N5 O13 Zn2 -","- C72 H53 N5 O13 Zn2 -","- C288 H212 N20 O52 Zn8 -","4","1","","Tanaka, Koichi; Hotta, Naoki; Nagase, Shohei; Yoza, Kenji","Efficient HPLC enantiomer separation using a pillared homochiral metal‒organic framework as a novel chiral stationary phase","New J. Chem.","2016","40","6","4891","","10.1039/C6NJ00090H","","","1.54178","CuKα","","0.0374","0.0353","","","0.089","0.0902","","","","","","1.039","","","","has coordinates,has disorder","183741","2020-10-21","18:00:00",""
"7055521","16.9299","0.0006","14.845","0.0008","19.6945","0.0008","90","","90","","90","","4949.7","0.4","291","2","291.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C36 H40 Cu4 I8 N8 -","- C36 H40 Cu4 I8 N8 -","- C144 H160 Cu16 I32 N32 -","4","0.25","","Xu, Man-Man; Li, Yao; Zheng, Lin-Jie; Niu, Yun-Yin; Hou, Hong-Wei","Three cation-templated Cu(i) self-assemblies: synthesis, structures, and photocatalytic properties","New J. Chem.","2016","40","7","6086","","10.1039/C5NJ03321G","","","0.71073","MoKα","","0.074","0.0569","","","0.1578","0.1712","","","","","","1.054","","","","has coordinates,has disorder","185573","2020-10-21","18:00:00",""
"7055522","10.8207","0.0006","12.6826","0.0006","9.658","0.0005","90","","108.391","0.006","90","","1257.72","0.12","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cu N4 S2 -","- C11 H10 Cu N4 S2 -","- C44 H40 Cu4 N16 S8 -","4","1","","Xu, Man-Man; Li, Yao; Zheng, Lin-Jie; Niu, Yun-Yin; Hou, Hong-Wei","Three cation-templated Cu(i) self-assemblies: synthesis, structures, and photocatalytic properties","New J. Chem.","2016","40","7","6086","","10.1039/C5NJ03321G","","","0.71073","MoKα","","0.052","0.0369","","","0.0756","0.0831","","","","","","1.024","","","","has coordinates","185573","2020-10-21","18:00:00",""
"7055523","13.7812","0.0013","7.501","0.0008","15.1787","0.0014","90","","99.598","0.001","90","","1547.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O18 U2 -","- C28 H22 N2 O18 U2 -","- C56 H44 N4 O36 U4 -","2","0.5","","Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan","A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption","New J. Chem.","2016","40","7","6077","","10.1039/C6NJ00109B","","","0.71073","MoKα","","0.0215","0.0181","","","0.0425","0.0434","","","","","","1.061","","","","has coordinates","185578","2020-10-21","18:00:00",""
"7055524","5.6911","0.0005","7.4024","0.0006","9.8667","0.0008","106.561","0.001","105.897","0.001","99.948","0.001","368.73","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 N2 O8 U -","- C12 H12 N2 O8 U -","- C12 H12 N2 O8 U -","1","0.5","","Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan","A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption","New J. Chem.","2016","40","7","6077","","10.1039/C6NJ00109B","","","0.71073","MoKα","","0.0167","0.0167","","","0.0431","0.0431","","","","","","1.067","","","","has coordinates","185578","2020-10-21","18:00:00",""
"7055525","20.379","0.003","11.7334","0.0018","12.529","0.002","90","","103.34","0.002","90","","2915","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 N O8 U -","- C29 H29 N O8 U -","- C116 H116 N4 O32 U4 -","4","1","","Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan","A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption","New J. Chem.","2016","40","7","6077","","10.1039/C6NJ00109B","","","0.71073","MoKα","","0.0765","0.0396","","","0.0773","0.0859","","","","","","0.909","","","","has coordinates","185578","2020-10-21","18:00:00",""
"7055526","5.5561","0.0004","15.252","0.0011","13.3506","0.0009","90","","93.974","0.001","90","","1128.63","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O13 U2 -","- C2 H6 O13 U2 -","- C8 H24 O52 U8 -","4","1","","Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan","A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption","New J. Chem.","2016","40","7","6077","","10.1039/C6NJ00109B","","","0.71073","MoKα","","0.0318","0.0269","","","0.063","0.0649","","","","","","1.109","","","","has coordinates","185578","2020-10-21","18:00:00",""
"7055527","10.9314","0.0001","13.1412","0.0002","18.7929","0.0003","90","","117.028","0.001","90","","2404.79","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N3 O4 Rh -","- C28 H22 N3 O4 Rh -","- C112 H88 N12 O16 Rh4 -","4","1","","Zhang, Hai-Rong; Liu, Yan-Cheng; Chen, Zhen-Feng; Meng, Ting; Zou, Bi-Qun; Liu, You-Nian; Liang, Hong","Studies on the structures, cytotoxicity and apoptosis mechanism of 8-hydroxylquinoline rhodium(iii) complexes in T-24 cells","New J. Chem.","2016","40","7","6005","","10.1039/C6NJ00182C","","","0.7107","MoKα","","0.0353","0.0288","","","0.0652","0.0685","","","","","","1.037","","","","has coordinates","185585","2020-10-21","18:00:00",""
"7055528","8.0116","0.0006","11.7397","0.001","12.2484","0.0007","78.326","0.006","88.221","0.005","89.46","0.006","1127.63","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 Br2 Cl N2 O4 Rh -","- C19 H14 Br2 Cl N2 O4 Rh -","- C38 H28 Br4 Cl2 N4 O8 Rh2 -","2","1","","Zhang, Hai-Rong; Liu, Yan-Cheng; Chen, Zhen-Feng; Meng, Ting; Zou, Bi-Qun; Liu, You-Nian; Liang, Hong","Studies on the structures, cytotoxicity and apoptosis mechanism of 8-hydroxylquinoline rhodium(iii) complexes in T-24 cells","New J. Chem.","2016","40","7","6005","","10.1039/C6NJ00182C","","","0.7107","MoKα","","0.0549","0.0442","","","0.1156","0.1228","","","","","","1.059","","","","has coordinates,has disorder","185585","2020-10-21","18:00:00",""
"7055529","10.4051","0.0018","17.875","0.003","17.596","0.003","90","","104.341","0.002","90","","3170.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","IPrTaCl5","","","- C27 H36 Cl5 N2 Ta -","- C27 H36 Cl5 N2 Ta -","- C108 H144 Cl20 N8 Ta4 -","4","1","","Wei, ZhenHong; Zhang, Wenbiao; Luo, Guangming; Xu, Feng; Mei, YingXuan; Cai, Hu","Mono- and bis-N-heterocyclic carbene complexes of tantalum and niobium with high oxidation states","New J. Chem.","2016","40","7","6270","","10.1039/C6NJ00223D","","","0.71073","MoKα","","0.0568","0.0377","","","0.098","0.1053","","","","","","1.069","","","","has coordinates","185571","2020-10-21","18:00:00",""
"7055530","13.8499","0.001","15.0205","0.001","16.9789","0.0011","66.765","0.003","86.819","0.004","71.851","0.003","3075","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 Cl18 N4 Nb2 -","- C46 H56 Cl18 N4 Nb2 -","- C92 H112 Cl36 N8 Nb4 -","2","1","","Wei, ZhenHong; Zhang, Wenbiao; Luo, Guangming; Xu, Feng; Mei, YingXuan; Cai, Hu","Mono- and bis-N-heterocyclic carbene complexes of tantalum and niobium with high oxidation states","New J. Chem.","2016","40","7","6270","","10.1039/C6NJ00223D","","","0.71073","MoKα","","0.0802","0.06","","","0.1252","0.1417","","","","","","1.072","","","","has coordinates,has disorder","185571","2020-10-21","18:00:00",""
"7055531","13.87","0.002","15.029","0.002","17.015","0.003","66.68","0.002","86.872","0.002","71.673","0.002","3081.9","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 Cl18 N4 Ta2 -","- C46 H56 Cl18 N4 Ta2 -","- C92 H112 Cl36 N8 Ta4 -","2","1","","Wei, ZhenHong; Zhang, Wenbiao; Luo, Guangming; Xu, Feng; Mei, YingXuan; Cai, Hu","Mono- and bis-N-heterocyclic carbene complexes of tantalum and niobium with high oxidation states","New J. Chem.","2016","40","7","6270","","10.1039/C6NJ00223D","","","0.71073","MoKα","","0.0584","0.0454","","","0.1064","0.1165","","","","","","1.08","","","","has coordinates","185571","2020-10-21","18:00:00",""
"7055532","8.3421","0.0006","13.3327","0.001","16.7969","0.0012","90","","90","","90","","1868.2","0.2","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 S Si -","- C17 H25 N O5 S Si -","- C68 H100 N4 O20 S4 Si4 -","4","1","","Singh, Gurjaspreet; Rani, Sunita; Arora, Aanchal; Aulakh, Darpandeep; Wriedt, Mario","Thioester-appended organosilatranes: synthetic investigations and application in the modification of magnetic silica surfaces","New J. Chem.","2016","40","7","6200","","10.1039/C6NJ00011H","","","0.71073","MoKα","","0.0405","0.0373","","","0.0975","0.1007","","","","","","1.039","","","","has coordinates,has disorder","185588","2020-10-21","18:00:00",""
"7055533","7.2068","0.0002","8.9671","0.0003","16.5006","0.0006","90","","93.343","0.001","90","","1064.52","0.06","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H27 N O4 S Si -","- C22 H27 N O4 S Si -","- C44 H54 N2 O8 S2 Si2 -","2","1","","Singh, Gurjaspreet; Rani, Sunita; Arora, Aanchal; Aulakh, Darpandeep; Wriedt, Mario","Thioester-appended organosilatranes: synthetic investigations and application in the modification of magnetic silica surfaces","New J. Chem.","2016","40","7","6200","","10.1039/C6NJ00011H","","","0.71073","MoKα","","0.0313","0.0287","","","0.0713","0.0726","","","","","","1.037","","","","has coordinates","185588","2020-10-21","18:00:00",""
"7055534","16.5717","0.001","22.3081","0.0013","11.7698","0.0007","90","","99.701","0.004","90","","4288.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 B N5 -","- C28 H20 B N5 -","- C224 H160 B8 N40 -","8","2","","Crandall, Laura A.; Rhoda, Hannah M.; Nemykin, Victor N.; Ziegler, Christopher J.","Boron templated synthesis of a BODIPY analogue from a phthalocyanine precursor","New J. Chem.","2016","40","7","5675","","10.1039/C6NJ00085A","","","1.54178","CuKα","","0.0563","0.0403","","","0.0898","0.0993","","","","","","0.962","","","","has coordinates","185564","2020-10-21","18:00:00",""
"7055535","8.8161","0.0005","10.6099","0.0006","13.5285","0.0008","78.972","0.002","86.357","0.003","84.524","0.003","1235.06","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 B Cl2 N4 O -","- C29 H21 B Cl2 N4 O -","- C58 H42 B2 Cl4 N8 O2 -","2","1","","Crandall, Laura A.; Rhoda, Hannah M.; Nemykin, Victor N.; Ziegler, Christopher J.","Boron templated synthesis of a BODIPY analogue from a phthalocyanine precursor","New J. Chem.","2016","40","7","5675","","10.1039/C6NJ00085A","","","0.71073","MoKα","","0.1833","0.0509","","","0.1268","0.1401","","","","","","1.125","","","","has coordinates,has disorder","185564","2020-10-21","18:00:00",""
"7055536","8.7931","0.0011","10.5963","0.0013","13.5308","0.0018","78.771","0.005","86.503","0.006","84.592","0.006","1229.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H20 B Cl2 N3 O2 -","- C29 H20 B Cl2 N3 O2 -","- C58 H40 B2 Cl4 N6 O4 -","2","1","","Crandall, Laura A.; Rhoda, Hannah M.; Nemykin, Victor N.; Ziegler, Christopher J.","Boron templated synthesis of a BODIPY analogue from a phthalocyanine precursor","New J. Chem.","2016","40","7","5675","","10.1039/C6NJ00085A","","","0.71073","MoKα","","0.0734","0.0572","","","0.1466","0.1611","","","","","","1.08","","","","has coordinates","185564","2020-10-21","18:00:00",""
"7055537","11.2845","0.0008","11.5944","0.0008","12.0744","0.0009","90","","114.97","0.009","90","","1432.1","0.2","290.8","0.1","290.8","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-arylidene-5-imidazolinone","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Singh, Thokchom Prasanta; Shunmugam, Raja","PCl3-mediated synthesis of green/cyan fluorescent protein chromophores using amino acids","New J. Chem.","2016","40","4","3024","","10.1039/C5NJ03144C","","x-ray","0.71073","MoKα","","0.0772","0.0598","","","0.1489","0.1637","","","","","","1.05","","","","has coordinates","182591","2020-10-21","18:00:00",""
"7055538","7.8357","0.0009","9.7387","0.0011","11.0588","0.0012","115.506","0.002","92.671","0.002","96.763","0.002","751.88","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Au Cl3 N3 -","- C13 H11 Au Cl3 N3 -","- C26 H22 Au2 Cl6 N6 -","2","1","","Nandy, Abhishek; Samanta, Tapastaru; Mallick, Sumana; Mitra, Partha; Seth, Saikat Kumar; Saha, Krishna Das; Al-Deyab, Salem S.; Dinda, Joydev","Synthesis of gold(iii) ←gold(i)‒NHC through disproportionation: the role of gold(i)‒NHC in the induction of apoptosis in HepG2 cells","New J. Chem.","2016","40","7","6289","","10.1039/C5NJ02979A","","","0.71073","MoKα","","0.0345","0.0269","","","0.0487","0.0508","","","","","","1.038","","","","has coordinates","185595","2020-10-21","18:00:00",""
"7055539","7.6118","0.001","19.781","0.003","18.635","0.002","90","","90.601","0.003","90","","2805.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Au F6 N7 P -","- C28 H25 Au F6 N7 P -","- C112 H100 Au4 F24 N28 P4 -","4","1","","Nandy, Abhishek; Samanta, Tapastaru; Mallick, Sumana; Mitra, Partha; Seth, Saikat Kumar; Saha, Krishna Das; Al-Deyab, Salem S.; Dinda, Joydev","Synthesis of gold(iii) ←gold(i)‒NHC through disproportionation: the role of gold(i)‒NHC in the induction of apoptosis in HepG2 cells","New J. Chem.","2016","40","7","6289","","10.1039/C5NJ02979A","","","0.71073","MoKα","","0.0734","0.0394","","","0.0788","0.0899","","","","","","1.057","","","","has coordinates","185595","2020-10-21","18:00:00",""
"7055540","4.3231","0.0016","9.305","0.004","19.116","0.007","87.056","0.01","86.072","0.01","79.91","0.01","754.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Au Cl3 N3 -","- C13 H12 Au Cl3 N3 -","- C26 H24 Au2 Cl6 N6 -","2","1","","Nandy, Abhishek; Samanta, Tapastaru; Mallick, Sumana; Mitra, Partha; Seth, Saikat Kumar; Saha, Krishna Das; Al-Deyab, Salem S.; Dinda, Joydev","Synthesis of gold(iii) ←gold(i)‒NHC through disproportionation: the role of gold(i)‒NHC in the induction of apoptosis in HepG2 cells","New J. Chem.","2016","40","7","6289","","10.1039/C5NJ02979A","","","0.71073","MoKα","","0.0527","0.028","","","0.0602","0.0679","","","","","","0.997","","","","has coordinates","185595","2020-10-21","18:00:00",""
"7055541","16.837","0.002","19.023","0.0016","19.862","0.003","115.622","0.011","101.572","0.012","90.31","0.009","5588.8","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 Cl Cu N2 P -","- C34 H27 Cl Cu N2 P -","- C272 H216 Cl8 Cu8 N16 P8 -","8","4","","Safin, Damir A.; Vande Velde, Christophe M. L.; Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav","Mononuclear heteroleptic complexes of copper(i) with 5-phenyl-2,2′-bipyridine and triphenylphosphine: crystal structures, Hirshfeld surface analysis and luminescence properties","New J. Chem.","2016","40","7","6156","","10.1039/C6NJ00833J","","","0.71073","MoKα","","0.0746","0.0545","","","0.1353","0.1435","","","","","","1.044","","","","has coordinates","185568","2020-10-21","18:00:00",""
"7055542","9.5272","0.0003","18.5794","0.0006","32.0159","0.0014","90","","90","","90","","5667.1","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H27 Br Cu N2 P -","- C34 H27 Br Cu N2 P -","- C272 H216 Br8 Cu8 N16 P8 -","8","1","","Safin, Damir A.; Vande Velde, Christophe M. L.; Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav","Mononuclear heteroleptic complexes of copper(i) with 5-phenyl-2,2′-bipyridine and triphenylphosphine: crystal structures, Hirshfeld surface analysis and luminescence properties","New J. Chem.","2016","40","7","6156","","10.1039/C6NJ00833J","","","0.71073","MoKα","","0.0604","0.0407","","","0.0763","0.0827","","","","","","1.064","","","","has coordinates","185568","2020-10-21","18:00:00",""
"7055543","11.8421","0.0004","25.8186","0.001","15.2975","0.0006","90","","98.783","0.002","90","","4622.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H55 Cl Co2 N4 O11 -","- C49 H55 Cl Co2 N4 O11 -","- C196 H220 Cl4 Co8 N16 O44 -","4","1","","Davila, Ruben; Farias, Nicolas; Carolina Sañudo, E.; Vega, Andrés; Escuer, Albert; Soler, Mónica; Manzur, Jorge","Dinuclear cobalt(iii) and mixed valence trinuclear MnIII‒MnII‒MnIIIcomplexes with a tripodal bridging pyridylaminophenol ligand","New J. Chem.","2016","40","7","6164","","10.1039/C5NJ03670D","","","0.71073","MoKα","","0.0895","0.0534","","","0.1394","0.1754","","","","","","1.102","","","","has coordinates","185581","2020-10-21","18:00:00",""
"7055544","11.829","0.004","12.643","0.004","21.233","0.006","78.054","0.013","89.491","0.013","64.271","0.011","2786.9","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H76 Mn3 N4 O12 -","- C50 H56 Mn3 N4 O10 -","- C100 H112 Mn6 N8 O20 -","2","1","","Davila, Ruben; Farias, Nicolas; Carolina Sañudo, E.; Vega, Andrés; Escuer, Albert; Soler, Mónica; Manzur, Jorge","Dinuclear cobalt(iii) and mixed valence trinuclear MnIII‒MnII‒MnIIIcomplexes with a tripodal bridging pyridylaminophenol ligand","New J. Chem.","2016","40","7","6164","","10.1039/C5NJ03670D","","","0.71073","MoKα","","0.1705","0.1307","","","0.3185","0.3482","","","","","","1.06","","","","has coordinates","185581","2020-10-21","18:00:00",""
"7055545","26.143","0.003","25.5375","0.0012","16.485","0.0016","90","","90","","90","","11005.8","1.7","150","2","150","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C61 H53 F6 O2 P3 Ru -","- C61 H53 F6 O2 P3 Ru -","- C488 H424 F48 O16 P24 Ru8 -","8","1","","Spörler, Susanne; Strinitz, Frank; Rodehutskors, Philipp; Müller, Lisa; Waterloo, Andreas R.; Dürr, Maximilian; Hübner, Eike; Ivanović-Burmazović, Ivana; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-rich cyclopentadienyl ruthenium allenylidene complexes","New J. Chem.","2016","40","7","6127","","10.1039/C5NJ03556B","","x-ray","0.71073","MoKα","","0.083","0.0599","","","0.1745","0.1953","","","","","","1.099","","","","has coordinates","185586","2020-10-21","18:00:00",""
"7055546","10.0465","0.0008","15.395","0.0012","20.6856","0.0018","73.3","0.006","84.013","0.006","75.746","0.007","2968.1","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C72 H63 F6 O3 P3 Ru -","- C72 H63 F6 O3 P3 Ru -","- C144 H126 F12 O6 P6 Ru2 -","2","1","","Spörler, Susanne; Strinitz, Frank; Rodehutskors, Philipp; Müller, Lisa; Waterloo, Andreas R.; Dürr, Maximilian; Hübner, Eike; Ivanović-Burmazović, Ivana; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-rich cyclopentadienyl ruthenium allenylidene complexes","New J. Chem.","2016","40","7","6127","","10.1039/C5NJ03556B","","x-ray","0.71073","MoKα","","0.0984","0.0731","","","0.2016","0.241","","","","","","1.044","","","","has coordinates","185586","2020-10-21","18:00:00",""
"7055547","20.6123","0.0006","22.6218","0.0006","25.5409","0.0007","90","","105.389","0.003","90","","11482.4","0.6","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C63 H47 Cl2 F6 P3 Ru -","- C63 H47 Cl2 F6 P3 Ru -","- C504 H376 Cl16 F48 P24 Ru8 -","8","1","","Spörler, Susanne; Strinitz, Frank; Rodehutskors, Philipp; Müller, Lisa; Waterloo, Andreas R.; Dürr, Maximilian; Hübner, Eike; Ivanović-Burmazović, Ivana; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-rich cyclopentadienyl ruthenium allenylidene complexes","New J. Chem.","2016","40","7","6127","","10.1039/C5NJ03556B","","x-ray","0.71073","MoKα","","0.0513","0.0437","","","0.1249","0.1298","","","","","","1.057","","","","has coordinates","185586","2020-10-21","18:00:00",""
"7055548","15.481","0.0006","16.085","0.0005","16.886","0.0004","84.904","0.002","68.132","0.003","68.142","0.003","3615.6","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31.5 H27 Cl F6 N8.5 O0.5 P Ru -","- C31.5 H27 Cl F6 N8.5 O0.5 P Ru -","- C126 H108 Cl4 F24 N34 O2 P4 Ru4 -","4","2","","Hadadzadeh, Hassan; Farrokhpour, Hossein; Simpson, Jim; Shakeri, Jamaladin; Daryanavard, Marzieh; Shokrollahi, Marzieh","Electrocatalytic reduction of CO2to CO by a mononuclear ruthenium(ii) complex","New J. Chem.","2016","40","7","6347","","10.1039/C5NJ03600C","","","1.5418","CuKα","","0.0753","0.0649","","","0.1787","0.1886","","","","","","1.047","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055549","19.8876","0.0013","9.0457","0.0005","18.9565","0.0011","90","","105.766","0.005","90","","3281.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Co Compound","","","- C48 H96.8 Cl2 Co2 N12 O22.4 -","- C48 H93.4 Cl2 Co2 N12 O22.4 -","- C96 H186.8 Cl4 Co4 N24 O44.8 -","2","0.25","","Sing, Nilam; Roy, Sanjay; Guin, Partha Sarathi; Mahali, Kalachand; Majee, Prakash; Mondal, Sudip Kumar; Mahata, Partha; Sengupta, Partha Sarathi; Mondal, Palash","A Co(ii) complex of a vitamer of vitamin B6acts as a sensor for Hg2+and pH in aqueous media","New J. Chem.","2016","40","7","6396","","10.1039/C6NJ00410E","","","0.71073","MoKα","","0.0958","0.0641","","","0.1851","0.2082","","","","","","1.099","","","","has coordinates,has disorder","185574","2020-10-21","18:00:00",""
"7055550","10.669","0.002","11.771","0.002","14.278","0.003","90","","90","","90","","1793.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang","Effect of configurational isomerism and polymorphism on chalcone fluorescent properties","New J. Chem.","2016","40","7","6441","","10.1039/C6NJ00976J","","","0.71073","MoKα","","0.1189","0.058","","","0.1496","0.1862","","","","","","1.002","","","","has coordinates","185584","2020-10-21","18:00:00",""
"7055551","11.343","0.002","7.989","0.0016","21.559","0.004","90","","104.06","0.03","90","","1895.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C104 H72 O8 -","4","1","","Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang","Effect of configurational isomerism and polymorphism on chalcone fluorescent properties","New J. Chem.","2016","40","7","6441","","10.1039/C6NJ00976J","","","0.71073","MoKα","","0.1264","0.0578","","","0.1387","0.1686","","","","","","1.002","","","","has coordinates","185584","2020-10-21","18:00:00",""
"7055552","29.981","0.006","5.74","0.0011","21.533","0.004","90","","91.25","0.03","90","","3704.8","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C208 H144 O16 -","8","1","","Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang","Effect of configurational isomerism and polymorphism on chalcone fluorescent properties","New J. Chem.","2016","40","7","6441","","10.1039/C6NJ00976J","","","0.71073","MoKα","","0.1849","0.0871","","","0.1647","0.204","","","","","","1.01","","","","has coordinates","185584","2020-10-21","18:00:00",""
"7055553","16.727","0.003","5.641","0.0011","18.544","0.004","90","","109.35","0.03","90","","1650.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","","Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang","Effect of configurational isomerism and polymorphism on chalcone fluorescent properties","New J. Chem.","2016","40","7","6441","","10.1039/C6NJ00976J","","","0.71073","MoKα","","0.1635","0.0675","","","0.1412","0.1823","","","","","","1.002","","","","has coordinates","185584","2020-10-21","18:00:00",""
"7055554","27.135","0.005","5.83","0.0012","20.776","0.004","90","","98.03","0.03","90","","3254.5","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 O -","- C23 H16 O -","- C184 H128 O8 -","8","1","","Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang","Effect of configurational isomerism and polymorphism on chalcone fluorescent properties","New J. Chem.","2016","40","7","6441","","10.1039/C6NJ00976J","","","0.71073","MoKα","","0.1709","0.0698","","","0.1151","0.1422","","","","","","1.001","","","","has coordinates","185584","2020-10-21","18:00:00",""
"7055555","12.9207","0.0002","22.2792","0.0007","7.8597","0.0004","90","","102.627","0.003","90","","2207.79","0.14","120","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichlorido-4,7-diphenyl-2,9-dimethyl-1,10-phenantrolinecobalt(II)","","- C26 H20 Cl2 Co N2 -","- C26 H20 Cl2 Co N2 -","- C104 H80 Cl8 Co4 N8 -","4","1","","Smolko, Lukáš; Černák, Juraj; Dušek, Michal; Titiš, Ján; Boča, Roman","Tetracoordinate Co(ii) complexes containing bathocuproine and single molecule magnetism","New J. Chem.","2016","40","8","6593","","10.1039/C6NJ00372A","","x-ray","1.54184","CuKα","","0.0385","0.0341","","","0.0882","0.092","","","","1.42","1.42","1.4","","","","has coordinates","185608","2020-10-21","18:00:00",""
"7055556","12.9571","0.0004","22.7711","0.0011","7.8738","0.0007","90","","103.018","0.004","90","","2263.4","0.2","119.95","0.14","119.95","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromido-4,7-diphenyl-2,9-dimethyl-1,10-phenantrolinecobalt(II)","","- C26 H20 Br2 Co N2 -","- C26 H20 Br2 Co N2 -","- C104 H80 Br8 Co4 N8 -","4","1","","Smolko, Lukáš; Černák, Juraj; Dušek, Michal; Titiš, Ján; Boča, Roman","Tetracoordinate Co(ii) complexes containing bathocuproine and single molecule magnetism","New J. Chem.","2016","40","8","6593","","10.1039/C6NJ00372A","","x-ray","1.54184","CuKα","","0.0707","0.0588","","","0.1401","0.1478","","","","1.83","1.83","1.73","","","","has coordinates","185608","2020-10-21","18:00:00",""
"7055557","12.7126","0.0003","23.7131","0.0007","8.0118","0.0004","90","","98.626","0.003","90","","2387.88","0.15","120","0.1","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co I2 N2 -","- C26 H20 Co I2 N2 -","- C104 H80 Co4 I8 N8 -","4","1","","Smolko, Lukáš; Černák, Juraj; Dušek, Michal; Titiš, Ján; Boča, Roman","Tetracoordinate Co(ii) complexes containing bathocuproine and single molecule magnetism","New J. Chem.","2016","40","8","6593","","10.1039/C6NJ00372A","","x-ray","1.54184","CuKα","","0.0408","0.0301","","","0.0779","0.0866","","","","1.18","1.18","1.17","","","","has coordinates","185608","2020-10-21","18:00:00",""
"7055558","11.3302","0.0008","10.5415","0.0007","16.9754","0.0012","90","","95.253","0.001","90","","2019","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Gupta, Kankatala S. V.; Ramana, Daggupati V.; Vinayak, Botla; Sridhar, Balasubramanian; Chandrasekharam, Malapaka","Copper-catalyzed regio and diastereoselective three component C‒N, C‒C and C‒O bond forming reaction: oxidative sp3C‒H functionalization","New J. Chem.","2016","40","7","6389","","10.1039/C5NJ03707G","","","0.71073","MoKα","","0.0651","0.0509","","","0.1306","0.1405","","","","","","1.024","","","","has coordinates","185576","2020-10-21","18:00:00",""
"7055559","16.33","0.0018","5.5498","0.0005","21.308","0.003","90","","110.785","0.006","90","","1805.4","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 N4 Ni2 O6 -","- C44 H38 N4 Ni2 O6 -","- C88 H76 N8 Ni4 O12 -","2","0.5","","Novoa, Néstor; Roisnel, Thierry; Dorcet, Vincent; Cador, Olivier; Manzur, Carolina; Carrillo, David; Hamon, Jean-René","Efficient preparation of multimetallic ONO-based Schiff base complexes of nickel(ii) and copper(ii)","New J. Chem.","2016","40","7","5920","","10.1039/C6NJ00932H","","x-ray","0.71073","MoKα","","0.1231","0.0596","","","0.1123","0.1355","","","","","","1.016","","","","has coordinates","185566","2020-10-21","18:00:00",""
"7055560","7.1379","0.0003","26.0949","0.0011","21.8414","0.0007","90","","95.142","0.001","90","","4051.9","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Fe2 N4 Ni2 O4 -","- C50 H42 Fe2 N4 Ni2 O4 -","- C200 H168 Fe8 N16 Ni8 O16 -","4","1","","Novoa, Néstor; Roisnel, Thierry; Dorcet, Vincent; Cador, Olivier; Manzur, Carolina; Carrillo, David; Hamon, Jean-René","Efficient preparation of multimetallic ONO-based Schiff base complexes of nickel(ii) and copper(ii)","New J. Chem.","2016","40","7","5920","","10.1039/C6NJ00932H","","x-ray","0.71073","MoKα","","0.1026","0.0489","","","0.0915","0.1097","","","","","","0.999","","","","has coordinates","185566","2020-10-21","18:00:00",""
"7055561","8.678","0.0015","19.302","0.004","11.5537","0.0016","90","","108.72","0.008","90","","1832.9","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cu N2 O3 -","- C22 H19 Cu N2 O3 -","- C88 H76 Cu4 N8 O12 -","4","1","","Novoa, Néstor; Roisnel, Thierry; Dorcet, Vincent; Cador, Olivier; Manzur, Carolina; Carrillo, David; Hamon, Jean-René","Efficient preparation of multimetallic ONO-based Schiff base complexes of nickel(ii) and copper(ii)","New J. Chem.","2016","40","7","5920","","10.1039/C6NJ00932H","","x-ray","0.71073","MoKα","","0.2134","0.0818","","","0.1397","0.1858","","","","","","0.935","","","","has coordinates","185566","2020-10-21","18:00:00",""
"7055562","9.4089","0.001","12.3402","0.0012","15.4689","0.0016","73.418","0.004","75.461","0.005","78.263","0.005","1649.3","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40 H34 Cu2 Fe2 N2 O4 -","- C40 H34 Cu2 Fe2 N2 O4 -","- C80 H68 Cu4 Fe4 N4 O8 -","2","1","","Novoa, Néstor; Roisnel, Thierry; Dorcet, Vincent; Cador, Olivier; Manzur, Carolina; Carrillo, David; Hamon, Jean-René","Efficient preparation of multimetallic ONO-based Schiff base complexes of nickel(ii) and copper(ii)","New J. Chem.","2016","40","7","5920","","10.1039/C6NJ00932H","","x-ray","0.71073","MoKα","","0.0403","0.0331","","","0.0812","0.0852","","","","","","1.045","","","","has coordinates","185566","2020-10-21","18:00:00",""
"7055571","9.0642","0.0011","11.8519","0.0014","18.732","0.002","86.072","0.002","83.458","0.002","81.905","0.002","1976.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N6 O4 S -","- C46 H42 N6 O4 S -","- C92 H84 N12 O8 S2 -","2","1","","Das, Sangita; Aich, Krishnendu; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong-Kun","FRET-based fluorescence ratiometric and colorimetric sensor to discriminate Fe3+from Fe2+","New J. Chem.","2016","40","7","6414","","10.1039/C5NJ03598H","","","0.71073","MoKα","","0.0791","0.0481","","","0.1027","0.119","","","","","","1.023","","","","has coordinates","185587","2020-10-21","18:00:00",""
"7055572","10.0882","0.0008","12.863","0.001","11.871","0.001","90","","102.335","0.006","90","","1504.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H42 O2 Se2 -","- C32 H42 O2 Se2 -","- C64 H84 O4 Se4 -","2","1","","Ścianowski, Jacek; Pacuła, Agata J.; Zielińska-Błajet, Mariola; Wojtczak, Andrzej","New diphenyl diselenides o-substituted by an O(S,Se)-caranyl skeleton ‒ synthesis and application in asymmetric reactions","New J. Chem.","2016","40","8","6697","","10.1039/C6NJ00487C","","","0.71073","MoKα","","0.095","0.0587","","","0.1367","0.1535","","","","","","0.879","","","","has coordinates","185603","2020-10-21","18:00:00",""
"7055573","11.55","0.0008","29.977","0.002","9.144","0.001","90","","90","","90","","3166","0.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H39 Cl3 Cu2 N2 O15 -","- C21 H35 Cl3 Cu2 N2 O15 -","- C84 H140 Cl12 Cu8 N8 O60 -","4","0.5","","Sanyal, Ria; Kundu, Priyanka; Rychagova, Elena; Zhigulin, Grigory; Ketkov, Sergey; Ghosh, Bipinbihari; Chattopadhyay, Shyamal Kumar; Zangrando, Ennio; Das, Debasis","Catecholase activity of Mannich-based dinuclear CuIIcomplexes with theoretical modeling: new insight into the solvent role in the catalytic cycle","New J. Chem.","2016","40","8","6623","","10.1039/C6NJ00105J","","","0.71073","MoKα","","0.1017","0.077","","","0.2234","0.2468","","","","","","1.056","","","","has coordinates","185621","2020-10-21","18:00:00",""
"7055574","9.7971","0.0004","11.2747","0.0004","18.5531","0.0009","97.974","0.002","92.99","0.002","114.816","0.001","1828.2","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Cl4 Cu2 N2 O15 -","- C26 H38 Cl4 Cu2 N2 O15 -","- C52 H76 Cl8 Cu4 N4 O30 -","2","1","","Sanyal, Ria; Kundu, Priyanka; Rychagova, Elena; Zhigulin, Grigory; Ketkov, Sergey; Ghosh, Bipinbihari; Chattopadhyay, Shyamal Kumar; Zangrando, Ennio; Das, Debasis","Catecholase activity of Mannich-based dinuclear CuIIcomplexes with theoretical modeling: new insight into the solvent role in the catalytic cycle","New J. Chem.","2016","40","8","6623","","10.1039/C6NJ00105J","","","0.71073","MoKα","","0.0804","0.0583","","","0.1771","0.1934","","","","","","1.04","","","","has coordinates","185621","2020-10-21","18:00:00",""
"7055575","14.1999","0.0004","13.2826","0.0004","17.8412","0.0005","90","","90","","90","","3365.06","0.17","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Cl2 Cu2 N4 O12 -","- C26 H38 Cl2 Cu2 N4 O12 -","- C104 H152 Cl8 Cu8 N16 O48 -","4","0.5","","Sanyal, Ria; Kundu, Priyanka; Rychagova, Elena; Zhigulin, Grigory; Ketkov, Sergey; Ghosh, Bipinbihari; Chattopadhyay, Shyamal Kumar; Zangrando, Ennio; Das, Debasis","Catecholase activity of Mannich-based dinuclear CuIIcomplexes with theoretical modeling: new insight into the solvent role in the catalytic cycle","New J. Chem.","2016","40","8","6623","","10.1039/C6NJ00105J","","","0.71073","MoKα","","0.0377","0.0279","","","0.0764","0.0823","","","","","","1.03","","","","has coordinates","185621","2020-10-21","18:00:00",""
"7055576","8.9325","0.0019","9.701","0.002","11.314","0.002","79.587","0.006","71.215","0.006","80.545","0.006","907","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 Cl2 Cu2 N2 O11 -","- C30 H44 Cl2 Cu2 N2 O11 -","- C30 H44 Cl2 Cu2 N2 O11 -","1","0.5","","Sanyal, Ria; Kundu, Priyanka; Rychagova, Elena; Zhigulin, Grigory; Ketkov, Sergey; Ghosh, Bipinbihari; Chattopadhyay, Shyamal Kumar; Zangrando, Ennio; Das, Debasis","Catecholase activity of Mannich-based dinuclear CuIIcomplexes with theoretical modeling: new insight into the solvent role in the catalytic cycle","New J. Chem.","2016","40","8","6623","","10.1039/C6NJ00105J","","","0.71073","MoKα","","0.0859","0.0724","","","0.2003","0.2221","","","","","","1.096","","","","has coordinates","185621","2020-10-21","18:00:00",""
"7055579","10.9653","0.0008","24.1931","0.0017","10.7357","0.0007","90","","93.07","0.002","90","","2843.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Hg1.5 N O3 S -","- C28 H34 Hg1.5 N O3 S -","- C112 H136 Hg6 N4 O12 S4 -","4","1","","Casas, José S.; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez López, Ezequiel M.","Phenylmercury(ii) sulfanylpropenoates: an example of symmetrization with the 3-(2-methoxyphenyl)-2-sulfanylpropenoato ligand","New J. Chem.","2016","40","8","6735","","10.1039/C6NJ00624H","","","0.71073","MoKα","","0.1357","0.0381","","","0.0455","0.0568","","","","","","0.701","","","","has coordinates","185602","2020-10-21","18:00:00",""
"7055580","9.977","0.003","10.614","0.003","12.809","0.003","111.613","0.004","95.651","0.004","109.288","0.004","1152.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Hg N O3 S -","- C22 H29 Hg N O3 S -","- C44 H58 Hg2 N2 O6 S2 -","2","1","","Casas, José S.; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez López, Ezequiel M.","Phenylmercury(ii) sulfanylpropenoates: an example of symmetrization with the 3-(2-methoxyphenyl)-2-sulfanylpropenoato ligand","New J. Chem.","2016","40","8","6735","","10.1039/C6NJ00624H","","","0.71073","MoKα","","0.0384","0.0279","","","0.0621","0.0676","","","","","","1.033","","","","has coordinates","185602","2020-10-21","18:00:00",""
"7055581","10.1999","0.0008","11.0816","0.0008","12.1792","0.001","101.713","0.001","103.418","0.002","113.876","0.001","1154.21","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Hg N O3 S -","- C22 H29 Hg N O3 S -","- C44 H58 Hg2 N2 O6 S2 -","2","1","","Casas, José S.; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez López, Ezequiel M.","Phenylmercury(ii) sulfanylpropenoates: an example of symmetrization with the 3-(2-methoxyphenyl)-2-sulfanylpropenoato ligand","New J. Chem.","2016","40","8","6735","","10.1039/C6NJ00624H","","","0.71073","MoKα","","0.0582","0.0418","","","0.0841","0.088","","","","","","0.891","","","","has coordinates","185602","2020-10-21","18:00:00",""
"7055582","10.9515","0.0009","15.1588","0.0012","16.0378","0.0013","91.515","0.002","109.962","0.002","92.162","0.002","2498.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 F6 Hg2 N2 O6 S2 -","- C44 H52 F6 Hg2 N2 O6 S2 -","- C88 H104 F12 Hg4 N4 O12 S4 -","2","1","","Casas, José S.; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez López, Ezequiel M.","Phenylmercury(ii) sulfanylpropenoates: an example of symmetrization with the 3-(2-methoxyphenyl)-2-sulfanylpropenoato ligand","New J. Chem.","2016","40","8","6735","","10.1039/C6NJ00624H","","","0.71073","MoKα","","0.1022","0.0443","","","0.1018","0.134","","","","","","0.895","","","","has coordinates","185602","2020-10-21","18:00:00",""
"7055583","21.201","0.007","10.863","0.002","32.16","0.006","90","","98.94","0.04","90","","7317","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5-(4-tert-butylphenyl)-15-bipyridine-porphyrin zinc","zinc{5-(4-tert-butylphenyl)-15-[4-(2,2'-bipyridine)]-porphyrinato}","","- C44 H38 N6 O Zn -","- C44 H38 N6 O Zn -","- C352 H304 N48 O8 Zn8 -","8","1","","Charisiadis, Asterios; Nikolaou, Vasilis; Karikis, Kostas; Giatagana, Chrysa; Chalepli, Konstantina; Ladomenou, Kalliopi; Biswas, Suhayan; Sharma, Ganesh D.; Coutsolelos, Athanassios G.","Two new bulky substituted Zn porphyrins bearing carboxylate anchoring groups as promising dyes for DSSCs","New J. Chem.","2016","40","7","5930","","10.1039/C6NJ00634E","","","0.71073","MoKα","","0.1568","0.068","","","0.0981","0.1178","","","","","","1.035","","","","has coordinates,has disorder","185569","2020-10-21","18:00:00",""
"7055584","8.9739","0.0006","8.5841","0.0006","30.686","0.003","90","","90","","90","","2363.8","0.3","293","2","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C26 H20 N O5 Pb -","- C26 H26 N O5 Pb -","- C104 H104 N4 O20 Pb4 -","4","0.5","","Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing","Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands","New J. Chem.","2016","40","8","6867","","10.1039/C5NJ03632A","","","0.71073","MoKα","","0.0644","0.0446","","","0.0666","0.074","","","","","","1.004","","","","has coordinates,has disorder","185606","2020-10-21","18:00:00",""
"7055585","7.7028","0.0003","5.3856","0.0002","35.9661","0.0015","90","","95.458","0.004","90","","1485.26","0.1","200","0.1","200","0.1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C20 H12 O4 Pb -","- C20 H12 O4 Pb -","- C80 H48 O16 Pb4 -","4","0.5","","Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing","Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands","New J. Chem.","2016","40","8","6867","","10.1039/C5NJ03632A","","","0.71073","MoKα","","0.0287","0.0268","","","0.0539","0.0555","","","","","","1.078","","","","has coordinates","185606","2020-10-21","18:00:00",""
"7055586","16.734","0.0006","8.002","0.0002","34.8764","0.0009","90","","101.383","0.003","90","","4578.3","0.2","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C25 H23 N O5 Pb -","- C25 H23 N O5 Pb -","- C200 H184 N8 O40 Pb8 -","8","1","","Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing","Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands","New J. Chem.","2016","40","8","6867","","10.1039/C5NJ03632A","","","0.71","MoKα","","0.0451","0.0315","","","0.0568","0.0622","","","","","","1.048","","","","has coordinates,has disorder","185606","2020-10-21","18:00:00",""
"7055587","19.6153","0.0005","7.10613","0.00016","18.5113","0.0004","90","","94.072","0.002","90","","2573.76","0.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Cl2 N4 O8 Pb3 -","- C24 H12 Cl2 N4 O8 Pb3 -","- C96 H48 Cl8 N16 O32 Pb12 -","4","0.5","","Dai, Fangna; Fan, Weidong; Bi, Jiahui; Zhang, Qian; Zhang, XiRui; Liang, Tuo; Wang, Xingyi; Dong, Bin; Gao, Jing","Four Pb(ii) metal‒organic frameworks with increasing dimensions: structural diversities by varying the ligands","New J. Chem.","2016","40","8","6867","","10.1039/C5NJ03632A","","","0.71","MoKα","","0.0432","0.0332","","","0.065","0.0719","","","","","","1.063","","","","has coordinates","185606","2020-10-21","18:00:00",""
"7055588","11.9003","0.0004","14.8271","0.0005","16.7978","0.0006","78.317","0.003","79.682","0.003","79.942","0.003","2825.97","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 N4 Ni4 O12 -","- C60 H60 N4 Ni4 O12 -","- C120 H120 N8 Ni8 O24 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Pajić, Damir; Zadro, Krešo; Cinčić, Dominik; Hrenar, Tomica; Lekšić, Edislav; Belen Pinar Prieto, Ana; Lazić, Predrag; Šišak Jung, Dubravka","Correlation between structural, physical and chemical properties of three new tetranuclear NiIIclusters","New J. Chem.","2016","40","8","6604","","10.1039/C6NJ00287K","","","0.71073","MoKα","","0.1251","0.0613","","","0.0987","0.1163","","","","","","0.974","","","","has coordinates","185610","2020-10-21","18:00:00",""
"7055589","11.7984","0.0003","14.6129","0.0004","16.862","0.0005","77.752","0.002","79.495","0.002","79.732","0.002","2763.74","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.32 H60 N4 Ni4 O12.64 -","- C60.32 H60 N4 Ni4 O12.64 -","- C120.64 H120 N8 Ni8 O25.28 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Pajić, Damir; Zadro, Krešo; Cinčić, Dominik; Hrenar, Tomica; Lekšić, Edislav; Belen Pinar Prieto, Ana; Lazić, Predrag; Šišak Jung, Dubravka","Correlation between structural, physical and chemical properties of three new tetranuclear NiIIclusters","New J. Chem.","2016","40","8","6604","","10.1039/C6NJ00287K","","","0.71073","MoKα","","0.0586","0.0387","","","0.0774","0.0839","","","","","","1.009","","","","has coordinates,has disorder","185610","2020-10-21","18:00:00",""
"7055590","11.9649","0.0004","14.7344","0.0005","16.9441","0.0006","78.05","0.003","80.183","0.003","79.885","0.003","2848.97","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 N4 Ni4 O12 -","- C60 H60 N4 Ni4 O12 -","- C120 H120 N8 Ni8 O24 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Pajić, Damir; Zadro, Krešo; Cinčić, Dominik; Hrenar, Tomica; Lekšić, Edislav; Belen Pinar Prieto, Ana; Lazić, Predrag; Šišak Jung, Dubravka","Correlation between structural, physical and chemical properties of three new tetranuclear NiIIclusters","New J. Chem.","2016","40","8","6604","","10.1039/C6NJ00287K","","","0.71073","MoKα","","0.1137","0.0629","","","0.1357","0.1568","","","","","","1.004","","","","has coordinates","185610","2020-10-21","18:00:00",""
"7055591","11.8638","0.0005","14.6263","0.0006","16.9277","0.0007","77.775","0.004","79.854","0.003","79.725","0.004","2795.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.63 H60 N4 Ni4 O12.63 -","- C60.63 H60 N4 Ni4 O12.63 -","- C121.26 H120 N8 Ni8 O25.26 -","2","1","","Cindrić, Marina; Pavlović, Gordana; Pajić, Damir; Zadro, Krešo; Cinčić, Dominik; Hrenar, Tomica; Lekšić, Edislav; Belen Pinar Prieto, Ana; Lazić, Predrag; Šišak Jung, Dubravka","Correlation between structural, physical and chemical properties of three new tetranuclear NiIIclusters","New J. Chem.","2016","40","8","6604","","10.1039/C6NJ00287K","","","0.71073","MoKα","","0.0706","0.0348","","","0.0528","0.0563","","","","","","0.793","","","","has coordinates,has disorder","185610","2020-10-21","18:00:00",""
"7055592","18.898","0.0004","16.7388","0.0004","17.3542","0.0004","90","","90","","90","","5489.7","0.2","296","","296","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- F70 Ti10 Xe5 -","- F69.994 Ti10 Xe5 -","- F279.976 Ti40 Xe20 -","4","0.5","","Mazej, Zoran; Goreshnik, Evgeny A.","Largest perfluorometallate [Ti10F45]5−oligomer and polymeric ([Ti3F13]−)∞and ([TiF5]−)∞anions prepared as [XeF5]+salts","New J. Chem.","2016","40","9","7320","","10.1039/C6NJ00955G","","x-ray","0.71073","MoKα","","0.038","0.035","","","0.0833","0.0857","","","","","","1.027","","","","has coordinates","186452","2020-10-21","18:00:00",""
"7055593","18.139","0.002","8.5173","0.0009","18.1876","0.0016","90","","90","","90","","2809.9","0.5","149.97","0.15","149.97","0.15","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- F10 Ti Xe -","- F10 Ti Xe -","- F160 Ti16 Xe16 -","16","2","","Mazej, Zoran; Goreshnik, Evgeny A.","Largest perfluorometallate [Ti10F45]5−oligomer and polymeric ([Ti3F13]−)∞and ([TiF5]−)∞anions prepared as [XeF5]+salts","New J. Chem.","2016","40","9","7320","","10.1039/C6NJ00955G","","x-ray","0.71073","MoKα","","0.1246","0.0867","","","0.2042","0.2289","","","","","","1.054","","","","has coordinates","186452","2020-10-21","18:00:00",""
"7055594","9.7699","0.0006","11.0276","0.0006","13.4581","0.0007","89.601","0.005","69.992","0.005","77.717","0.005","1327.83","0.14","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- F36 Ti6 Xe2 -","- F36 Ti6 Xe2 -","- F72 Ti12 Xe4 -","2","1","","Mazej, Zoran; Goreshnik, Evgeny A.","Largest perfluorometallate [Ti10F45]5−oligomer and polymeric ([Ti3F13]−)∞and ([TiF5]−)∞anions prepared as [XeF5]+salts","New J. Chem.","2016","40","9","7320","","10.1039/C6NJ00955G","","x-ray","0.71073","MoKα","","0.0826","0.0579","","","0.1438","0.154","","","","","","1.001","","","","has coordinates","186452","2020-10-21","18:00:00",""
"7055595","11.412","0.004","15.341","0.006","24.64","0.009","90","","102.498","0.006","90","","4212","3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H37 N5 O2 Zn -","- C48 H37 N5 O2 Zn -","- C192 H148 N20 O8 Zn4 -","4","1","","Liu, Hui; Tu, Ji-Qiang; Zhang, Cheng-Hua; Xiao, Qiao-Ting; Wang, Tian-Hua; Ju, Xiu-Lian","Selective complexation of di-n-hexylammonium salts by tailed porphyrin host","New J. Chem.","2016","40","7","5679","","10.1039/C6NJ00045B","","","0.71073","MoKα","","0.095","0.0648","","","0.1752","0.1915","","","","","","1.037","","","","has coordinates,has disorder","185577","2020-10-21","18:00:00",""
"7055596","9.3672","0.0008","20.6388","0.0018","29.622","0.003","90","","94.688","0.001","90","","5707.6","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H66 B F2 N3 O2 S2 -","- C66 H66 B F2 N3 O2 S2 -","- C264 H264 B4 F8 N12 O8 S8 -","4","1","","Wang, Jun; Li, Jin; Chen, Na; Wu, Yayang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Synthesis, structure and properties of thiophene-fused BODIPYs and azaBODIPYs as near-infrared agents","New J. Chem.","2016","40","7","5966","","10.1039/C6NJ01011C","","","0.71073","MoKα","","0.1818","0.092","","","0.2565","0.3253","","","","","","1.038","","","","has coordinates","185580","2020-10-21","18:00:00",""
"7055597","12.5342","0.0013","36.614","0.004","11.8932","0.0013","90","","114.485","0.001","90","","4967.3","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H43 B F2 N2 O6 S2 -","- C55 H43 B F2 N2 O6 S2 -","- C220 H172 B4 F8 N8 O24 S8 -","4","1","","Wang, Jun; Li, Jin; Chen, Na; Wu, Yayang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Synthesis, structure and properties of thiophene-fused BODIPYs and azaBODIPYs as near-infrared agents","New J. Chem.","2016","40","7","5966","","10.1039/C6NJ01011C","","","0.71073","MoKα","","0.1111","0.0664","","","0.1978","0.2195","","","","","","1.092","","","","has coordinates","185580","2020-10-21","18:00:00",""
"7055598","7.495","0.001","8.509","0.001","16.398","0.003","91.72","0.02","101.45","0.01","116.12","0.01","912.1","0.3","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H5 F10 N O -","- C21 H5 F10 N O -","- C42 H10 F20 N2 O2 -","2","1","","Faurie, Alexandre; Mallet, Charlotte; Allain, Magali; Skene, W. G.; Frère, Pierre","Topological and packing mode modification for solid-state emission enhancement of bis(perfluorostyryl)furan derivatives","New J. Chem.","2016","40","8","6728","","10.1039/C5NJ03561A","","x-ray","0.71073","MoKα","","0.1915","0.0735","","","0.097","0.128","","","","","","1.04","","","","has coordinates","185607","2020-10-21","18:00:00",""
"7055599","7.414","0.002","12.582","0.001","13.338","0.002","90","","91","0.02","90","","1244","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H4 F5 N O2 -","- C14 H4 F5 N O2 -","- C56 H16 F20 N4 O8 -","4","2","","Faurie, Alexandre; Mallet, Charlotte; Allain, Magali; Skene, W. G.; Frère, Pierre","Topological and packing mode modification for solid-state emission enhancement of bis(perfluorostyryl)furan derivatives","New J. Chem.","2016","40","8","6728","","10.1039/C5NJ03561A","","x-ray","0.71073","MoKα","","0.1418","0.0734","","","0.1706","0.2047","","","","","","1.033","","","","has coordinates","185607","2020-10-21","18:00:00",""
"7055600","6.634","0.002","4.733","0.002","18.468","0.006","90","","92.01","0.03","90","","579.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H5 F5 O2 -","- C13 H5 F5 O2 -","- C26 H10 F10 O4 -","2","1","","Faurie, Alexandre; Mallet, Charlotte; Allain, Magali; Skene, W. G.; Frère, Pierre","Topological and packing mode modification for solid-state emission enhancement of bis(perfluorostyryl)furan derivatives","New J. Chem.","2016","40","8","6728","","10.1039/C5NJ03561A","","x-ray","0.71073","MoKα","","0.1208","0.0591","","","0.1111","0.1239","","","","","","1.084","","","","has coordinates","185607","2020-10-21","18:00:00",""
"7055601","19.404","0.005","9.092","0.002","12.045","0.006","90","","90","","90","","2125","1.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(4-(Dimethylamino)phenyl)spiro[fluorene-4,2?-[2H]indene]-1?,3?,9(3H)- trione","","- C29 H21 N O3 -","- C29 H21 N O3 -","- C116 H84 N4 O12 -","4","1","","Bekere, Laura; Larina, Nina; Lokshin, Vladimir; Ellern, Arkady; Sigalov, Mark; Khodorkovsky, Vladimir","A new class of spirocyclic photochromes reacting with light of both UV and visible ranges","New J. Chem.","2016","40","8","6554","","10.1039/C6NJ00666C","","","0.71073","MoKα","","0.0838","0.0544","","","0.1109","0.1273","","","","","","1.323","","","","has coordinates","185616","2020-10-21","18:00:00",""
"7055602","11.6979","0.0004","12.3967","0.0004","16.6477","0.0006","90","","96.137","0.003","90","","2400.34","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-(Diethylamino)phenyl)spiro[fluorene-4,2?-[2H]indene]-1?,3?,9(3H)- trione","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","1","","Bekere, Laura; Larina, Nina; Lokshin, Vladimir; Ellern, Arkady; Sigalov, Mark; Khodorkovsky, Vladimir","A new class of spirocyclic photochromes reacting with light of both UV and visible ranges","New J. Chem.","2016","40","8","6554","","10.1039/C6NJ00666C","","","1.54184","CuKα","","0.084","0.0619","","","0.1687","0.1909","","","","","","1.034","","","","has coordinates,has disorder","185616","2020-10-21","18:00:00",""
"7055603","17.42499","0.00014","13.44287","0.0001","18.57921","0.00014","90","","93.9206","0.0007","90","","4341.84","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(4-Methoxyphenyl)spiro[fluorene-4,2?-[2H]indene]-1?,3?,9(3H)-trione","","- C28 H18 O4 -","- C28 H18 O4 -","- C224 H144 O32 -","8","2","","Bekere, Laura; Larina, Nina; Lokshin, Vladimir; Ellern, Arkady; Sigalov, Mark; Khodorkovsky, Vladimir","A new class of spirocyclic photochromes reacting with light of both UV and visible ranges","New J. Chem.","2016","40","8","6554","","10.1039/C6NJ00666C","","","1.54184","CuKα","","0.0492","0.043","","","0.1181","0.126","","","","","","1.033","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7055604","48.58","0.02","19.477","0.009","18.724","0.008","90","","101.814","0.01","90","","17341","13","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C65 H65 B Cl Cu2 N14 O41.5 W12 -","- C65 H53 B Cl Cu2 N14 O41.5 W12 -","- C520 H424 B8 Cl8 Cu16 N112 O332 W96 -","8","1","","Wang, Shuo; Yu, Kai; Wang, Bo; Wang, Lu; Wang, Chun-Xiao; Zhang, He; Wang, Chun-Mei; Zhou, Baibin","Construction of two novel borotungstates modified by different ligands connected with single/double bridges","New J. Chem.","2016","40","8","7011","","10.1039/C6NJ00155F","","","0.71073","MoKα","","0.0764","0.068","","","0.0956","0.126","","","","","","1.139","","","","has coordinates","185605","2020-10-21","18:00:00",""
"7055605","18.1729","0.0006","21.8162","0.0007","16.4158","0.0005","90","","90","","90","","6508.3","0.4","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C38 H36 B Cu2 N12 O40 W12 -","- C38 H36 B Cu2 N12 O40 W12 -","- C152 H144 B4 Cu8 N48 O160 W48 -","4","1","","Wang, Shuo; Yu, Kai; Wang, Bo; Wang, Lu; Wang, Chun-Xiao; Zhang, He; Wang, Chun-Mei; Zhou, Baibin","Construction of two novel borotungstates modified by different ligands connected with single/double bridges","New J. Chem.","2016","40","8","7011","","10.1039/C6NJ00155F","","","0.71073","MoKα","","0.0382","0.0337","","","0.0814","0.0838","","","","","","1.011","","","","has coordinates","185605","2020-10-21","18:00:00",""
"7055606","16.7909","0.0008","11.3883","0.0006","15.3276","0.0008","90","","90.119","0.001","90","","2930.9","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Eu2 N3 O22 -","- C24 H17 Eu2 N3 O22 -","- C96 H68 Eu8 N12 O88 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","","0.71073","MoKα","","0.0167","0.0147","","","0.0354","0.0364","","","","","","1.131","","","","has coordinates,has disorder","186463","2020-10-21","18:00:00",""
"7055607","16.7322","0.0009","11.3501","0.0009","15.2871","0.0009","90","","90.04","0.002","90","","2903.2","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 N3 O22 Tb2 -","- C24 H17 N3 O22 Tb2 -","- C96 H68 N12 O88 Tb8 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","","0.71073","MoKα","","0.0162","0.0136","","","0.0316","0.0328","","","","","","1.091","","","","has coordinates,has disorder","186463","2020-10-21","18:00:00",""
"7055608","16.6713","0.0007","11.2905","0.0005","15.2129","0.0007","90","","90.2242","0.0012","90","","2863.5","0.2","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Er2 N3 O22 -","- C24 H17 Er2 N3 O22 -","- C96 H68 Er8 N12 O88 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","","0.71073","MoKα","","0.0194","0.0147","","","0.032","0.0335","","","","","","1.08","","","","has coordinates,has disorder","186463","2020-10-21","18:00:00",""
"7055609","8.3712","0.0005","9.8819","0.0006","10.268","0.0006","105.245","0.002","105.311","0.002","93.668","0.002","782.26","0.08","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 La2 N3 O24 -","- C24 H20 La2 N3 O24 -","- C24 H20 La2 N3 O24 -","1","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","","0.71073","MoKα","","0.0206","0.0183","","","0.0414","0.0421","","","","","","1.141","","","","has coordinates,has disorder","186463","2020-10-21","18:00:00",""
"7055610","8.724","0.0006","11.3159","0.0008","12.3944","0.0009","109.997","0.007","95.76","0.006","110.131","0.007","1046.07","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 N2 Nd O14 -","- C16 H6 N2 Nd O14 -","- C32 H12 N4 Nd2 O28 -","2","1","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","x-ray","0.71073","MoKα","","0.0517","0.0492","","","0.1404","0.1426","","","","","","1.093","","","","has coordinates","186463","2020-10-21","18:00:00",""
"7055611","6.907","0.0007","21.897","0.002","23.151","0.002","90","","90","","90","","3501.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H8 N2 Nd2 O24 -","- C24 H6 N3 Nd2 O26 -","- C96 H24 N12 Nd8 O104 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","x-ray","0.71073","MoKα","","0.0523","0.0376","","","0.0871","0.0945","","","","","","1.126","","","","has coordinates,has disorder","186463","2020-10-21","18:00:00",""
"7055612","19.017","0.002","5.109","0.0005","17.805","0.002","90","","99.507","0.012","90","","1706.1","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N4 S2 -","- C16 H18 N4 S2 -","- C64 H72 N16 S8 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine","New J. Chem.","2016","40","8","6899","","10.1039/C6NJ00154H","","","0.71073","MoKα","","0.0765","0.0659","","","0.1502","0.1552","","","","","","1.062","","","","has coordinates","185613","2020-10-21","18:00:00",""
"7055613","13.4747","0.0014","9.6657","0.001","13.4889","0.0014","90","","105.678","0.008","90","","1691.5","0.3","296","2","296","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C16 H18 N4 S2 -","- C16 H18 N4 S2 -","- C64 H72 N16 S8 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine","New J. Chem.","2016","40","8","6899","","10.1039/C6NJ00154H","","","0.71073","MoKα","","0.0446","0.0375","","","0.1242","0.1328","","","","","","1.017","","","","has coordinates","185613","2020-10-21","18:00:00",""
"7055614","7.5072","0.0006","8.4305","0.0007","9.1386","0.0007","73.216","0.004","85.375","0.005","74.943","0.005","534.72","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Br2 N4 O2 S2 -","- C16 H24 Br2 N4 O2 S2 -","- C16 H24 Br2 N4 O2 S2 -","1","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine","New J. Chem.","2016","40","8","6899","","10.1039/C6NJ00154H","","","0.71073","MoKα","","0.0386","0.0303","","","0.0621","0.0648","","","","","","1.083","","","","has coordinates","185613","2020-10-21","18:00:00",""
"7055615","7.0178","0.0017","16.125","0.004","9.208","0.002","90","","104.814","0.015","90","","1007.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N6 O6 S2 -","- C16 H20 N6 O6 S2 -","- C32 H40 N12 O12 S4 -","2","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine","New J. Chem.","2016","40","8","6899","","10.1039/C6NJ00154H","","","0.71073","MoKα","","0.0906","0.0678","","","0.1523","0.1616","","","","","","1.058","","","","has coordinates","185613","2020-10-21","18:00:00",""
"7055616","8.0722","0.0008","19.8911","0.0019","9.3871","0.0009","90","","98.293","0.004","90","","1491.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N4 O16 P4 S2 -","- C16 H30 N4 O16 P4 S2 -","- C32 H60 N8 O32 P8 S4 -","2","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine","New J. Chem.","2016","40","8","6899","","10.1039/C6NJ00154H","","","0.71073","MoKα","","0.0331","0.0298","","","0.0681","0.0694","","","","","","1.024","","","","has coordinates","185613","2020-10-21","18:00:00",""
"7055617","9.3155","0.0014","17.453","0.003","21.676","0.003","90","","94.652","0.002","90","","3512.5","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 La N5 Ni O16 -","- C27 H34 La N5 Ni O16 -","- C108 H136 La4 N20 Ni4 O64 -","4","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)–lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","","0.71073","MoKα","","0.0476","0.0344","","","0.0921","0.1204","","","","","","1.091","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7055618","11.4571","0.0015","12.3081","0.0017","12.5899","0.0017","65.463","0.013","75.741","0.012","85.765","0.011","1564.5","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 Dy N5 Ni O14 -","- C25 H26 Dy N5 Ni O14 -","- C50 H52 Dy2 N10 Ni2 O28 -","2","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","0.71073","MoKα","","0.0531","0.0418","","","0.0647","0.0714","","","","","","1","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055619","11.392","0.003","15.729","0.004","11.421","0.003","90","","115.83","0.003","90","","1842","0.8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H30 La N7 Ni O16 -","- C29 H30 La N7 Ni O16 -","- C58 H60 La2 N14 Ni2 O32 -","2","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","","0.71073","MoKα","","0.0638","0.0604","","","0.18","0.187","","","","","","1.135","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055620","10.2398","0.0004","20.6747","0.0007","15.2449","0.0005","90","","92.096","0.003","90","","3225.3","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H26 N7 Ni O15 Tb -","- C28 H26 N7 Ni O15 Tb -","- C112 H104 N28 Ni4 O60 Tb4 -","4","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","1.54184","CuKα","","0.0419","0.041","","","0.1026","0.1038","","","","","","1.078","","","","has coordinates,has disorder","185618","2020-10-21","18:00:00",""
"7055621","11.8105","0.0007","12.7474","0.0007","12.9606","0.0007","115.947","0.006","98.65","0.005","94.593","0.005","1711.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Dy N6 Ni O14 -","- C30 H29 Dy N6 Ni O14 -","- C60 H58 Dy2 N12 Ni2 O28 -","2","1","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","1.54184","CuKα","","0.0577","0.0494","","","0.1271","0.1334","","","","","","1.032","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055622","15.3389","0.0003","13.0476","0.0004","17.2529","0.0004","90","","97.2166","0.0018","90","","3425.57","0.15","293.42","0.1","293.42","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 La2 N10 Ni2 O32 -","- C52 H62 La2 N10 Ni2 O32 -","- C104 H124 La4 N20 Ni4 O64 -","2","0.5","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","0.71073","MoKα","","0.0599","0.0414","","","0.0781","0.0904","","","","","","1.061","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055623","15.1274","0.0007","12.9696","0.0007","17.1643","0.0008","90","","97.274","0.004","90","","3340.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Gd2 N10 Ni2 O32 -","- C52 H62 Gd2 N10 Ni2 O32 -","- C104 H124 Gd4 N20 Ni4 O64 -","2","0.5","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","1.54184","CuKα","","0.0534","0.0423","","","0.1059","0.1152","","","","","","1.022","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055624","10.5724","0.0008","12.5483","0.0012","13.8671","0.0007","99.027","0.006","95.068","0.005","101.985","0.007","1763.3","0.2","296.71","0.1","296.71","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 N10 Ni2 O30 Tb2 -","- C50 H54 N10 Ni2 O30 Tb2 -","- C50 H54 N10 Ni2 O30 Tb2 -","1","0.5","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","0.71073","MoKα","","0.0545","0.04","","","0.0781","0.0851","","","","","","0.996","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055625","10.6782","0.0012","12.6632","0.0011","14.0108","0.0012","98.892","0.007","94.93","0.008","101.762","0.008","1818.9","0.3","293.33","0.1","293.33","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Dy2 N10 Ni2 O30 -","- C50 H54 Dy2 N10 Ni2 O30 -","- C50 H54 Dy2 N10 Ni2 O30 -","1","0.5","","Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang","Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties","New J. Chem.","2016","40","8","6998","","10.1039/C6NJ00855K","","x-ray","0.71073","MoKα","","0.0489","0.0383","","","0.0777","0.0839","","","","","","0.996","","","","has coordinates","185618","2020-10-21","18:00:00",""
"7055626","12.0095","0.0011","13.3991","0.0012","24.2381","0.0019","90","","91.893","0.001","90","","3898.2","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 F2 O8 Sn4 Te2 -","- C24 H44 F2 O8 Sn4 Te2 -","- C96 H176 F8 O32 Sn16 Te8 -","4","1","","Ma, Chunlin; Liu, Xinglong; Cheng, Shuang; Li, Qianli; Zhang, Rufen","A novel 4-fluorobenzenetelluronic trimethyltin ester: synthesis, characterization and in vitro cytotoxicity assessment","New J. Chem.","2016","40","8","6946","","10.1039/C6NJ00288A","","","0.71073","MoKα","","0.1085","0.0585","","","0.1383","0.176","","","","","","1.083","","","","has coordinates","185619","2020-10-21","18:00:00",""
"7055627","10.9312","0.0006","9.1547","0.0009","16.4772","0.0009","90","","93.129","0.005","90","","1646.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Trišović, Nemanja; Antanasijević, Jelena; Rogan, Jelena; Poleti, Dejan; Tóth-Katona, Tibor; Salamonczyk, Miroslaw; Jákli, Antal; Fodor-Csorba, Katalin","Investigation of supramolecular architectures of bent-shaped pyridine derivatives: from a three-ring crystalline compound towards five-ring mesogens","New J. Chem.","2016","40","8","6977","","10.1039/C6NJ01515H","","x-ray","0.71073","MoKα","","0.1946","0.0975","","","0.1125","0.1352","","","","","","1.098","","","","has coordinates","185620","2020-10-21","18:00:00",""
"7055628","7.6659","0.0013","15.982","0.003","9.5235","0.0015","90","","92.263","0.008","90","","1165.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 -","- C28 H34 N4 -","- C56 H68 N8 -","2","0.5","","Zhang, Shaofei; Kim, Han-Je; Tang, Qun; Yang, Eunkyung; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.","Synthesis and photophysical characteristics of 2,3,12,13-tetraalkylbacteriochlorins","New J. Chem.","2016","40","7","5942","","10.1039/C6NJ00517A","","","0.71073","MoKα","","0.0547","0.0436","","","0.1184","0.1251","","","","","","1.06","","","","has coordinates","185582","2020-10-21","18:00:00",""
"7055629","8.8305","0.0017","9.1614","0.0018","16.76","0.003","75.104","0.005","81.51","0.005","77.835","0.005","1274.6","0.4","101","2","101","2","","","","","","","","6","P 1","P 1","1","","","","- C45 H53 F12 N5 O12 S2 -","- C45 H53 F12 N5 O12 S2 -","- C45 H53 F12 N5 O12 S2 -","1","1","","Zdanowski, Szymon; Piątek, Piotr; Romański, Jan","An ion pair receptor facilitating the extraction of chloride salt from the aqueous to the organic phase","New J. Chem.","2016","40","8","7190","","10.1039/C6NJ01482H","","","0.71073","MoKα","","0.0248","0.0233","","","0.0552","0.0559","","","","","","1.039","","","","has coordinates","185612","2020-10-21","18:00:00",""
"7055630","8.8972","0.0005","11.12","0.0006","12.9995","0.0006","112.409","0.004","96.989","0.004","93.49","0.004","1172.08","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Cl N4 O7 Re S -","- C19 H18 Cl N4 O7 Re S -","- C38 H36 Cl2 N8 O14 Re2 S2 -","2","1","","Garcia, Camila Vargas; Parrilha, Gabrieli Lessa; Rodrigues, Bernardo Lages; Teixeira, Sarah Fernandes; de Azevedo, Ricardo Alexandre; Ferreira, Adilson Kleber; Beraldo, Heloisa","Tricarbonylrhenium(i) complexes with 2-acetylpyridine-derived hydrazones are cytotoxic to NCI-H460 human large cell lung cancer","New J. Chem.","2016","40","9","7379","","10.1039/C6NJ00050A","","","0.71073","MoKα","","0.0395","0.03","","","0.0676","0.072","","","","","","1.089","","","","has coordinates","186460","2020-10-21","18:00:00",""
"7055631","12.6872","0.0002","9.572","0.0002","14.983","0.0002","90","","98.3","0.002","90","","1800.51","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl N3 O4 Re -","- C17 H13 Cl N3 O4 Re -","- C68 H52 Cl4 N12 O16 Re4 -","4","1","","Garcia, Camila Vargas; Parrilha, Gabrieli Lessa; Rodrigues, Bernardo Lages; Teixeira, Sarah Fernandes; de Azevedo, Ricardo Alexandre; Ferreira, Adilson Kleber; Beraldo, Heloisa","Tricarbonylrhenium(i) complexes with 2-acetylpyridine-derived hydrazones are cytotoxic to NCI-H460 human large cell lung cancer","New J. Chem.","2016","40","9","7379","","10.1039/C6NJ00050A","","","0.71073","MoKα","","0.0343","0.0226","","","0.0615","0.0662","","","","","","1.211","","","","has coordinates","186460","2020-10-21","18:00:00",""
"7055632","8.7687","0.0004","11.1002","0.0005","12.9282","0.0005","113.002","0.004","97.163","0.004","93.603","0.004","1140.66","0.09","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C19 H18 Cl2 N3 O5 Re S -","- C19 H18 Cl2 N3 O5 Re S -","- C38 H36 Cl4 N6 O10 Re2 S2 -","2","1","","Garcia, Camila Vargas; Parrilha, Gabrieli Lessa; Rodrigues, Bernardo Lages; Teixeira, Sarah Fernandes; de Azevedo, Ricardo Alexandre; Ferreira, Adilson Kleber; Beraldo, Heloisa","Tricarbonylrhenium(i) complexes with 2-acetylpyridine-derived hydrazones are cytotoxic to NCI-H460 human large cell lung cancer","New J. Chem.","2016","40","9","7379","","10.1039/C6NJ00050A","","x-ray","0.71073","MoKα","","0.0333","0.0255","","","0.0478","0.0508","","","","","","1.061","","","","has coordinates","186460","2020-10-21","18:00:00",""
"7055633","10.7683","0.0005","14.1119","0.0007","14.4106","0.0007","77.307","0.004","80.723","0.004","83.274","0.004","2100.79","0.18","295","","295","","","","","","","","","5","P -1","-P 1","2","","Complex 1","","- C50 H36 Cd2 N2 O10 -","- C50 H36 Cd2 N2 O10 -","- C100 H72 Cd4 N4 O20 -","2","1","","Liu, Xiaobin; Xiao, Zhenyu; Huang, Ao; Wang, Wen; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Crystal structures, topological analysis and luminescence properties of three coordination polymers based on a semi-rigid ligand and N-donor ligand linkers","New J. Chem.","2016","40","7","5957","","10.1039/C6NJ00180G","","","0.71","MoKα","","0.1104","0.0801","","","0.1985","0.2137","","","","","","1.109","","","","has coordinates","185589","2020-10-21","18:00:00",""
"7055634","23.9468","0.001","9.1029","0.0003","26.8693","0.001","90","","116.161","0.005","90","","5257.1","0.4","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 N O4 Zn -","- C25 H16 N O4 Zn -","- C200 H128 N8 O32 Zn8 -","8","1","","Liu, Xiaobin; Xiao, Zhenyu; Huang, Ao; Wang, Wen; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Crystal structures, topological analysis and luminescence properties of three coordination polymers based on a semi-rigid ligand and N-donor ligand linkers","New J. Chem.","2016","40","7","5957","","10.1039/C6NJ00180G","","","0.71","MoKα","","0.0545","0.0498","","","0.1424","0.1516","","","","","","1.048","","","","has coordinates","185589","2020-10-21","18:00:00",""
"7055635","12.8278","0.0003","11.4187","0.0003","19.1951","0.0005","90","","95.151","0.002","90","","2800.28","0.12","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Complex 3","","- C32 H28 Co N4 O7 -","- C32 H28 Co N4 O7 -","- C128 H112 Co4 N16 O28 -","4","1","","Liu, Xiaobin; Xiao, Zhenyu; Huang, Ao; Wang, Wen; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Crystal structures, topological analysis and luminescence properties of three coordination polymers based on a semi-rigid ligand and N-donor ligand linkers","New J. Chem.","2016","40","7","5957","","10.1039/C6NJ00180G","","x-ray","1.54184","CuKα","","0.0598","0.0499","","","0.1417","0.1488","","","","","","1.041","","","","has coordinates","185589","2020-10-21","18:00:00",""
"7055636","18.463","0.002","13.6212","0.0018","15.5388","0.0018","90","","92.291","0.013","90","","3904.7","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H34.5 Cl2 N5 Ni2 O7.25 S -","- C31.5 H32 Cl2 N5 Ni2 O7.25 S -","- C126 H128 Cl8 N20 Ni8 O29 S4 -","4","1","","Sanyal, Ria; Zhang, Xuepeng; Chakraborty, Prateeti; Giri, Sanjib; Chattopadhyay, Shyamal Kumar; Zhao, Cunyuan; Das, Debasis","Role of solvent in the phosphatase activity of a dinuclear nickel(ii) complex of a Schiff base ligand: mechanistic interpretation by DFT studies","New J. Chem.","2016","40","9","7388","","10.1039/C6NJ01043A","","","0.71073","MoKα","","0.1552","0.0767","","","0.1767","0.203","","","","","","0.92","","","","has coordinates,has disorder","288193","2023-12-08","17:12:24",""
"7055637","15.331","0.003","15.527","0.004","14.982","0.004","90","","118.319","0.002","90","","3139.6","1.3","173.15","","173.15","","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","Ni5","","- C28 H37 Br2 N3 Ni O5 -","- C28 H37 Br2 N3 Ni O5 -","- C112 H148 Br8 N12 Ni4 O20 -","4","1","","Zhang, Jie; Liu, Shaofeng; Li, Antai; Ye, Hongqi; Li, Zhibo","Nickel(ii) complexes chelated by 2,6-pyridinedicarboxamide: syntheses, characterization, and ethylene oligomerization","New J. Chem.","2016","40","8","7027","","10.1039/C6NJ00559D","","","0.71073","MoKα","","0.0909","0.0806","","","0.1632","0.1684","","","","","","1.235","","","","has coordinates,has disorder","185611","2020-10-21","18:00:00",""
"7055638","14.859","0.003","16.766","0.004","16.883","0.004","90","","90","","90","","4206","1.6","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H57 Br2 N3 Ni O5 -","- C37 H57 Br2 N3 Ni O5 -","- C148 H228 Br8 N12 Ni4 O20 -","4","1","","Zhang, Jie; Liu, Shaofeng; Li, Antai; Ye, Hongqi; Li, Zhibo","Nickel(ii) complexes chelated by 2,6-pyridinedicarboxamide: syntheses, characterization, and ethylene oligomerization","New J. Chem.","2016","40","8","7027","","10.1039/C6NJ00559D","","","0.71073","MoKα","","0.0551","0.0483","","","0.0909","0.0954","","","","","","1.118","","","","has coordinates,has disorder","185611","2020-10-21","18:00:00",""
"7055639","9.2602","0.0006","7.3075","0.0004","22.2069","0.0012","90","","93.583","0.005","90","","1499.78","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-Carboxy-10-methylacridinium chloride dihydrate","","- C15 H16 Cl N O4 -","- C15 H16 Cl N O4 -","- C60 H64 Cl4 N4 O16 -","4","1","","Trzybiński, Damian; Zadykowicz, Beata; Wera, Michał; Serdiuk, Illia E.; Sieradzan, Andrzej; Sikorski, Artur; Storoniak, Piotr; Krzymiński, Karol","Structure, formation, thermodynamics and interactions in 9-carboxy-10-methylacridinium-based molecular systems","New J. Chem.","2016","40","9","7359","","10.1039/C6NJ00725B","","","0.71073","MoKα","","0.1125","0.0538","","","0.1196","0.1512","","","","","","0.981","","","","has coordinates","186461","2020-10-21","18:00:00",""
"7055640","8.2989","0.0009","9.0995","0.001","9.8014","0.0009","72.396","0.009","77.357","0.008","78.795","0.009","681.83","0.13","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Hydrogen bis(9-carboxy-10-methylacridinium) trifluoromethanesulfonate","","- C31 H23 F3 N2 O7 S -","- C31 H23 F3 N2 O7 S -","- C31 H23 F3 N2 O7 S -","1","0.5","","Trzybiński, Damian; Zadykowicz, Beata; Wera, Michał; Serdiuk, Illia E.; Sieradzan, Andrzej; Sikorski, Artur; Storoniak, Piotr; Krzymiński, Karol","Structure, formation, thermodynamics and interactions in 9-carboxy-10-methylacridinium-based molecular systems","New J. Chem.","2016","40","9","7359","","10.1039/C6NJ00725B","","","0.71073","MoKα","","0.0827","0.0436","","","0.0909","0.1072","","","","","","0.996","","","","has coordinates","186461","2020-10-21","18:00:00",""
"7055641","9.4378","0.0004","7.0489","0.0003","21.1972","0.0008","90","","97.158","0.004","90","","1399.18","0.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hydrogen bis(9-carboxy-10-methylacridinium) chloride dihydrate","","- C30 H31 Cl N2 O8 -","- C30 H31 Cl N2 O8 -","- C60 H62 Cl2 N4 O16 -","2","0.5","","Trzybiński, Damian; Zadykowicz, Beata; Wera, Michał; Serdiuk, Illia E.; Sieradzan, Andrzej; Sikorski, Artur; Storoniak, Piotr; Krzymiński, Karol","Structure, formation, thermodynamics and interactions in 9-carboxy-10-methylacridinium-based molecular systems","New J. Chem.","2016","40","9","7359","","10.1039/C6NJ00725B","","","0.71073","MoKα","","0.0773","0.0684","","","0.2128","0.2259","","","","","","1.107","","","","has coordinates","186461","2020-10-21","18:00:00",""
"7055642","9.9481","0.0001","10.8651","0.0001","13.2427","0.0002","70.643","0.001","68.039","0.001","87.764","0.001","1246.55","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N3 O4 -","- C31 H25 N3 O4 -","- C62 H50 N6 O8 -","2","1","","Mathusalini, Sadasivam; Arasakumar, Thangaraj; Lakshmi, Krishnasamy; Lin, Chia-Her; Mohan, Palathurai Subramaniam; Ramnath, Madhusudhanan Gogul; Thirugnanasampandan, Ramaraj","Synthesis and biological evaluation of new spirooxindoles with embedded pharmacophores","New J. Chem.","2016","40","6","5164","","10.1039/C6NJ00534A","","","0.71073","MoKα","","0.0703","0.045","","","0.1054","0.12","","","","","","1.043","","","","has coordinates","183672","2020-10-21","18:00:00",""
"7055643","16.8955","0.0006","10.3515","0.0004","11.5475","0.0005","90","","90","","90","","2019.59","0.14","150","2","150","2","","","","","","","","6","C m c 21","C 2c -2","36","","dichlorido-bis[N-(4-methoxyphenyl)acetamide-O]-zinc(II)","","- C18 H22 Cl2 N2 O4 Zn -","- C18 H22 Cl2 N2 O4 Zn -","- C72 H88 Cl8 N8 O16 Zn4 -","4","0.5","","Sultana, Kishwar; Zaib, Sumera; Hassan Khan, Najm ul; Khan, Imtiaz; Shahid, Khadija; Simpson, Jim; Iqbal, Jamshed","Exploiting the potential of aryl acetamide derived Zn(ii) complexes in medicinal chemistry: synthesis, structural analysis, assessment of biological profile and molecular docking studies","New J. Chem.","2016","40","8","7084","","10.1039/C5NJ03531G","","","1.54178","CuKα","","0.0257","0.0256","","","0.0664","0.0665","","","","","","1.07","","","","has coordinates","185615","2020-10-21","18:00:00",""
"7055644","19.4113","0.0017","13.0587","0.0012","11.0459","0.001","90","","90","","90","","2800","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H33 Cl6 N6 Sc -","- C18 H33 Cl6 N6 Sc -","- C72 H132 Cl24 N24 Sc4 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.029","0.0257","","","0.0626","0.0642","","","","","","1.023","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055645","19.58","0.002","13.0359","0.0015","11.1656","0.0013","90","","90","","90","","2849.9","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H33 Cl6 N6 Y -","- C18 H33 Cl6 N6 Y -","- C72 H132 Cl24 N24 Y4 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71075","MoKα","","0.0429","0.0282","","","0.0454","0.0479","","","","","","0.797","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055646","15.492","0.003","12.549","0.002","14.708","0.003","90","","90.482","0.003","90","","2859.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 Ce Cl6 N6 -","- C18 H33 Ce Cl6 N6 -","- C72 H132 Ce4 Cl24 N24 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.0957","0.0644","","","0.1684","0.1867","","","","","","1.04","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055647","15.925","0.005","12.787","0.004","15.252","0.005","90","","90.588","0.005","90","","3105.6","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 Br6 La N6 -","- C18 H33 Br6 La N6 -","- C72 H132 Br24 La4 N24 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.1156","0.0818","","","0.1337","0.1475","","","","","","1.145","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055648","18.803","0.007","11.1325","0.0015","17.017","0.002","90","","102.162","0.007","90","","3482.1","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 I6 La N6 -","- C18 H33 I6 La N6 -","- C72 H132 I24 La4 N24 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.0357","0.0308","","","0.0752","0.0775","","","","","","1.073","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055649","9.917","0.0008","16.2743","0.0012","19.0282","0.0016","90","","99.973","0.001","90","","3024.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Cl6 N6 Y -","- C21 H39 Cl6 N6 Y -","- C84 H156 Cl24 N24 Y4 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.0393","0.0278","","","0.064","0.0674","","","","","","1.028","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055650","10.0265","0.0017","16.306","0.002","19.133","0.003","90","","99.265","0.003","90","","3087.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Cl6 La N6 -","- C21 H39 Cl6 La N6 -","- C84 H156 Cl24 La4 N24 -","4","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.0264","0.0229","","","0.0552","0.0566","","","","","","1.078","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055651","10.347","0.002","11.075","0.003","16.577","0.003","92.594","0.003","90.255","0.003","106.93","0.004","1815.1","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H39 I6 La N6 -","- C21 H39 I6 La N6 -","- C42 H78 I12 La2 N12 -","2","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution","New J. Chem.","2016","40","8","7181","","10.1039/C6NJ01068G","","","0.71073","MoKα","","0.0209","0.0189","","","0.0412","0.0421","","","","","","0.984","","","","has coordinates","185601","2020-10-21","18:00:00",""
"7055652","9.5496","0.0007","11.3126","0.0008","18.048","0.0013","80.204","0.005","86.141","0.005","89.079","0.005","1916.9","0.2","115","","115","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","2","","Aich, Krishnendu; Das, Sangita; Goswami, Shyamaprosad; Quah, Ching Kheng; Sarkar, Deblina; Mondal, Tapan Kumar; Fun, Hoong-Kun","Carbazole‒benzimidazole based dyes for acid responsive ratiometric emissive switches","New J. Chem.","2016","40","8","6907","","10.1039/C6NJ00063K","","","0.71073","MoKα","","0.1995","0.0978","","","0.2593","0.3269","","","","","","1.052","","","","has coordinates,has disorder","185609","2020-10-21","18:00:00",""
"7055653","9.7031","0.0013","11.7775","0.0014","31.57","0.004","90","","95.921","0.002","90","","3588.5","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O -","- C23 H21 N O -","- C184 H168 N8 O8 -","8","2","","Aich, Krishnendu; Das, Sangita; Goswami, Shyamaprosad; Quah, Ching Kheng; Sarkar, Deblina; Mondal, Tapan Kumar; Fun, Hoong-Kun","Carbazole‒benzimidazole based dyes for acid responsive ratiometric emissive switches","New J. Chem.","2016","40","8","6907","","10.1039/C6NJ00063K","","","0.71073","MoKα","","0.1041","0.0609","","","0.1697","0.2021","","","","","","1.038","","","","has coordinates,has disorder","185609","2020-10-21","18:00:00",""
"7055654","13.244","0.005","13.546","0.005","14.691","0.005","74.1","0.005","69.748","0.005","65.588","0.005","2225","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H92 Mo12 N10 Ni O73 P8 -","- C30 H64 Mo12 N10 Ni O73 P8 -","- C30 H64 Mo12 N10 Ni O73 P8 -","1","0.5","","Paul, Luna; Dolai, Malay; Panja, Anangamohan; Ali, Mahammad","Hydrothermal synthesis of two supramolecular inorganic‒organic hybrid phosphomolybdates based on Ni(ii) and Co(ii) ions: structural diversity and heterogeneous catalytic activities","New J. Chem.","2016","40","8","6931","","10.1039/C6NJ00440G","","","0.71073","MoKα","","0.0341","0.0318","","","0.0896","0.0912","","","","","","1.049","","","","has coordinates,has disorder","185617","2020-10-21","18:00:00",""
"7055655","28.086","0.004","9.744","0.002","18.685","0.003","90","","126.78","0.005","90","","4095.6","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H52 Co Mo5 N4 O35 P2 -","- C12 H52 Co Mo5 N4 O35 P2 -","- C48 H208 Co4 Mo20 N16 O140 P8 -","4","0.5","","Paul, Luna; Dolai, Malay; Panja, Anangamohan; Ali, Mahammad","Hydrothermal synthesis of two supramolecular inorganic‒organic hybrid phosphomolybdates based on Ni(ii) and Co(ii) ions: structural diversity and heterogeneous catalytic activities","New J. Chem.","2016","40","8","6931","","10.1039/C6NJ00440G","","","0.71073","MoKα","","0.0998","0.0619","","","0.1285","0.1545","","","","","","1.079","","","","has coordinates","185617","2020-10-21","18:00:00",""
"7055656","8.3169","0.0004","10.5724","0.0004","29.2702","0.0011","90","","96.188","0.002","90","","2558.72","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Au O4 S8 -","- C18 H24 Au O4 S8 -","- C72 H96 Au4 O16 S32 -","4","2","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0526","0.0373","","","0.0805","0.0883","","","","","","0.797","","","","has coordinates","185604","2020-10-21","18:00:00",""
"7055657","8.2523","0.0005","12.0142","0.0006","19.6329","0.0008","90","","99.125","0.004","90","","1921.87","0.17","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 Au S10 -","- C12 H12 Au S10 -","- C48 H48 Au4 S40 -","4","1","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0967","0.0555","","","0.1051","0.1198","","","","","","1.083","","","","has coordinates,has disorder","185604","2020-10-21","18:00:00",""
"7055658","13.6322","0.0006","13.9463","0.0004","20.562","0.0008","90","","101.23","0.002","90","","3834.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C30 H56 Au N S8 -","- C30 H56 Au N S8 -","- C120 H224 Au4 N4 S32 -","4","2","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0473","0.0383","","","0.0815","0.0867","","","","","","0.743","","","","has coordinates","185604","2020-10-21","18:00:00",""
"7055659","11.0845","0.0003","29.8343","0.0007","17.4548","0.0004","90","","104.412","0.001","90","","5590.6","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C39 H69 Au Cl6 N O4 S8 -","- C39 H69 Au Cl6 N O4 S8 -","- C156 H276 Au4 Cl24 N4 O16 S32 -","4","2","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0974","0.0774","","","0.1722","0.1803","","","","","","1.11","","","","has coordinates","185604","2020-10-21","18:00:00",""
"7055660","17.4652","0.0014","10.836","0.0009","17.7614","0.0013","90","","90.474","0.004","90","","3361.3","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 Au N S8 -","- C26 H48 Au N S8 -","- C104 H192 Au4 N4 S32 -","4","1","","Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Chiral, radical, gold bis(dithiolene) complexes","New J. Chem.","2016","40","8","7113","","10.1039/C6NJ01177B","","x-ray","0.71073","MoKα","","0.0248","0.0202","","","0.0448","0.0462","","","","","","1.016","","","","has coordinates","185604","2020-10-21","18:00:00",""
"7055661","8.8493","0.0013","13.631","0.002","40.617","0.006","90","","95.482","0.003","90","","4877","1.2","296","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(ptpy)(Hptpy)](PF6)3","(4' - (4-pyridyl) - 22,';6',2""-terpyridine)(4' - (4-pyridinium) - 22,';6',2""-terpyridine)iron(II) hexaflurophosphate","","- C44 H35 F18 Fe N10 P3 -","- C44 H35 F18 Fe N10 P3 -","- C176 H140 F72 Fe4 N40 P12 -","4","1","","Jacob, Geevarghese Vadakken; Sutradhar, Sanjeeb; Patnaik, Archita","Proton switching as a driving force for the metal‒organic complex-mediated growth of gold colloids","New J. Chem.","2016","40","9","7431","","10.1039/C6NJ01380E","","","0.71073","MoKα","","0.15","0.082","","","0.1667","0.1925","","","","","","1.07","","","","has coordinates,has disorder","186458","2020-10-21","18:00:00",""
"7055662","16.3977","0.0005","8.3891","0.0003","29.1772","0.0009","90","","90","","90","","4013.7","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1-(3-ammoniopropyl)-4-[(E)-2-(4-nitrophenyl)vinyl]pyridinium diperchlorate, hydrate","","- C16 H19.5 Cl2 N3 O10.25 -","- C16 H19 Cl2 N3 O10.25 -","- C128 H152 Cl16 N24 O82 -","8","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","1.54178","CuKα","","0.0841","0.0588","","","0.1064","0.1179","","","","","","1.035","","","","has coordinates,has disorder","186459","2020-10-21","18:00:00",""
"7055663","7.9257","0.0005","11.427","0.0007","19.6257","0.001","100.1","0.002","100.108","0.002","93.581","0.002","1714.75","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2-[(E)-2-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)vinyl]-3-ethyl-1,3-benzothiazol-3-ium perchlorate, dioxane and water solvate","","- C31 H48 Cl N O15 S -","- C31 H48 Cl N O15 S -","- C62 H96 Cl2 N2 O30 S2 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","0.71073","MoKα","","0.1282","0.0578","","","0.116","0.1381","","","","","","0.875","","","","has coordinates","186459","2020-10-21","18:00:00",""
"7055664","37.878","0.008","16.492","0.003","35.71","0.007","90","","106.404","0.003","90","","21399","7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","complex between 1-(3-ammoniopropyl)-4-{(E)-2-[4-(methylthio)-phenyl]vinyl}pyridinium diperchlorate and 4-[(E)-2-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)vinyl]-1-ethylpyridiniumperchlorate, benzene and water solvate","","- C46.2 H61.6 Cl3 N3 O18.7 S -","- C46.2 H60.2 Cl3 N3 O18.7 S -","- C739.2 H963.2 Cl48 N48 O299.2 S16 -","16","2","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","0.71073","MoKα","","0.3957","0.1843","","","0.4584","0.5145","","","","","","1.18","","","","has coordinates,has disorder","186459","2020-10-21","18:00:00",""
"7055665","10.7742","0.0007","12.9619","0.0009","19.5026","0.0014","74.87","0.003","74.856","0.003","80.051","0.003","2521.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","complex between 1-(3-ammoniopropyl)-4-[(E)-2-(4-nitrophenyl)-vinyl]pyridinium diperchlorate and 4-[(E)-2-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)vinyl]-1-ethylpyridinium perchlorate, benzene and water solvate","","- C44 H60 Cl3 N4 O22 -","- C44 H56 Cl3 N4 O22 -","- C88 H112 Cl6 N8 O44 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","0.71073","MoKα","","0.1943","0.0715","","","0.1605","0.1942","","","","","","0.873","","","","has coordinates,has disorder","186459","2020-10-21","18:00:00",""
"7055666","14.0228","0.0009","18.0075","0.0011","22.8626","0.0014","90","","90","","90","","5773.2","0.6","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(3-ammoniopropyl)-4-r-[2-c-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)-3-t-(1-ethylpyridinium-4-yl)-4-t-(4-methoxyphenyl)cyclobutyl]pyridinium triperchlorate, benzene and acetonitrile and water solvate","","- C55.5 H70.75 Cl3 N3.75 O19.25 -","- C55.5 H70.25 Cl3 N3.75 O19.25 -","- C222 H281 Cl12 N15 O77 -","4","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Sazonov, Sergey K.; Kuz’mina, Lyudmila G.; Lobova, Natalia A.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and stereospecific cross-[2+2] photocycloaddition of pseudodimeric complexes based on ammonioalkyl derivatives of styryl dyes","New J. Chem.","2016","40","9","7542","","10.1039/C5NJ03500G","","","0.71073","MoKα","","0.2217","0.0818","","","0.1411","0.173","","","","","","0.898","","","","has coordinates,has disorder","186459","2020-10-21","18:00:00",""
"7055667","14.1703","0.0007","10.6446","0.0005","21.0933","0.001","90","","107.068","0.005","90","","3041.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H54 Ag2 F4 P4 S2 -","- C72 H54 Ag2 F4 P4 S2 -","- C144 H108 Ag4 F8 P8 S4 -","2","0.5","","Moreno-Alcántar, Guillermo; Nácar-Anaya, Antonio; Flores-Álamo, Marcos; Torrens, Hugo","Luminescent diphosphine fluorophenylthiolate silver(i) compounds that exhibit argentophilic interactions","New J. Chem.","2016","40","8","6577","","10.1039/C6NJ00984K","","","0.71073","MoKα","","0.0842","0.0403","","","0.064","0.078","","","","","","1.017","","","","has coordinates,has disorder","185614","2020-10-21","18:00:00",""
"7055668","13.8314","0.0008","13.9584","0.0012","18.061","0.0011","73.771","0.006","78.567","0.005","63.638","0.007","2988.7","0.4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H54 Ag2 F4 P4 S2 -","- C72 H54 Ag2 F4 P4 S2 -","- C144 H108 Ag4 F8 P8 S4 -","2","1","","Moreno-Alcántar, Guillermo; Nácar-Anaya, Antonio; Flores-Álamo, Marcos; Torrens, Hugo","Luminescent diphosphine fluorophenylthiolate silver(i) compounds that exhibit argentophilic interactions","New J. Chem.","2016","40","8","6577","","10.1039/C6NJ00984K","","","0.71073","MoKα","","0.0452","0.0319","","","0.065","0.0723","","","","","","1.052","","","","has coordinates","185614","2020-10-21","18:00:00",""
"7055669","11.7331","0.0004","11.9626","0.0004","21.2821","0.0006","92.527","0.002","92.533","0.002","102.148","0.003","2913.02","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Ag2 F4 P4 S2 -","- C64 H50 Ag2 F4 P4 S2 -","- C128 H100 Ag4 F8 P8 S4 -","2","1","","Moreno-Alcántar, Guillermo; Nácar-Anaya, Antonio; Flores-Álamo, Marcos; Torrens, Hugo","Luminescent diphosphine fluorophenylthiolate silver(i) compounds that exhibit argentophilic interactions","New J. Chem.","2016","40","8","6577","","10.1039/C6NJ00984K","","","0.71073","MoKα","","0.0643","0.0371","","","0.0696","0.0814","","","","","","1.031","","","","has coordinates","185614","2020-10-21","18:00:00",""
"7055670","11.8531","0.0007","11.9647","0.0007","12.1327","0.0007","64.18","0.005","65.204","0.006","81.877","0.005","1404.27","0.17","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Ag2 F4 P4 S2 -","- C64 H50 Ag2 F4 P4 S2 -","- C64 H50 Ag2 F4 P4 S2 -","1","0.5","","Moreno-Alcántar, Guillermo; Nácar-Anaya, Antonio; Flores-Álamo, Marcos; Torrens, Hugo","Luminescent diphosphine fluorophenylthiolate silver(i) compounds that exhibit argentophilic interactions","New J. Chem.","2016","40","8","6577","","10.1039/C6NJ00984K","","","0.71073","MoKα","","0.0262","0.0226","","","0.0566","0.0587","","","","","","1.096","","","","has coordinates","185614","2020-10-21","18:00:00",""
"7055671","8.779","0.0018","13.826","0.003","17.18","0.003","83.27","0.03","83.26","0.03","88.18","0.03","2056.3","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.5 H21 Br2 N3 O0.5 Zn -","- C19.5 H21 Br2 N3 O0.5 Zn -","- C78 H84 Br8 N12 O2 Zn4 -","4","2","","Zhang, Yong-Po; Ma, Zhong-Ying; Gao, Chun-Yan; Qiao, Xin; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping","Two dpa-based zinc(ii) complexes as potential anticancer agents: nuclease activity, cytotoxicity and apoptosis studies","New J. Chem.","2016","40","9","7513","","10.1039/C6NJ00346J","","","0.71073","MoKα","","0.1318","0.0685","","","0.1283","0.1547","","","","","","0.986","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055672","8.58","0.0017","13.601","0.003","16.75","0.003","84.1","0.03","84.02","0.03","89.49","0.03","1933.7","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19.5 H21 Cl2 N3 O0.5 Zn -","- C19.5 H21 Cl2 N3 O0.5 Zn -","- C78 H84 Cl8 N12 O2 Zn4 -","4","2","","Zhang, Yong-Po; Ma, Zhong-Ying; Gao, Chun-Yan; Qiao, Xin; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping","Two dpa-based zinc(ii) complexes as potential anticancer agents: nuclease activity, cytotoxicity and apoptosis studies","New J. Chem.","2016","40","9","7513","","10.1039/C6NJ00346J","","","0.71073","MoKα","","0.1127","0.0755","","","0.1653","0.1876","","","","","","1.06","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055673","11.813","0.002","12.191","0.002","13.301","0.003","89.36","0.03","87.62","0.03","78.82","0.03","1877.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl N3 O1.5 -","- C19 H19 Cl N3 O1.5 -","- C76 H76 Cl4 N12 O6 -","4","2","","Zhang, Yong-Po; Ma, Zhong-Ying; Gao, Chun-Yan; Qiao, Xin; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping","Two dpa-based zinc(ii) complexes as potential anticancer agents: nuclease activity, cytotoxicity and apoptosis studies","New J. Chem.","2016","40","9","7513","","10.1039/C6NJ00346J","","","0.71073","MoKα","","0.1165","0.0805","","","0.1949","0.2168","","","","","","1.124","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7055674","12.925","0.013","7.971","0.008","9.546","0.01","90","","90","","90","","983.5","1.7","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- F6 H6 N Na3 O5 S Ti -","- F6 H6 N Na3 O5 S Ti -","- F24 H24 N4 Na12 O20 S4 Ti4 -","4","0.5","","Xu, Dongdong; Zhang, Fangfang; Sun, Yanzhou; Yang, Zhihua; Dong, Xiaoyu; Pan, Shilie","Hydrogen bond-assisted crystallization: structure, growth and characterization of a new mixed-anion transition metal fluoride Na3NH4(TiF6)(SO4)·H2O","New J. Chem.","2016","40","9","7407","","10.1039/C6NJ01358A","","","0.71073","MoKα","","0.039","0.0315","","","0.0798","0.0843","","","","","","1.078","","","","has coordinates","186470","2020-10-21","18:00:00",""
"7055675","14.057","0.007","14.017","0.007","16.702","0.009","90","","100.938","0.009","90","","3231","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Zn2(oPDA)2]","","- C14 H6 N2 O8 Zn2 -","- C14 H6 N2 O8 Zn2 -","- C112 H48 N16 O64 Zn16 -","8","1","","Huang, Yong-Qing; Wan, Yi; Chen, Huai-Ying; Wang, Yang; Zhao, Yue; Xiao, Xin-Feng","Construction of metal‒organic coordination networks with various metal-linker secondary building units: structures and properties","New J. Chem.","2016","40","9","7587","","10.1039/C6NJ01231K","","","0.71073","MoKα","","0.0777","0.0401","","","0.0924","0.1083","","","","","","1.002","","","","has coordinates","186471","2020-10-21","18:00:00",""
"7055676","12.9099","0.0017","12.9099","0.0017","25.375","0.004","90","","90","","120","","3662.5","0.9","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H18 Ca Cl2 N6 O24 Pb6 -","- C42 H18 Ca Cl2 N6 O24 Pb6 -","- C126 H54 Ca3 Cl6 N18 O72 Pb18 -","3","0.166667","","Huang, Yong-Qing; Wan, Yi; Chen, Huai-Ying; Wang, Yang; Zhao, Yue; Xiao, Xin-Feng","Construction of metal‒organic coordination networks with various metal-linker secondary building units: structures and properties","New J. Chem.","2016","40","9","7587","","10.1039/C6NJ01231K","","","0.71073","MoKα","","0.0521","0.0487","","","0.0971","0.0984","","","","","","1.08","","","","has coordinates","186471","2020-10-21","18:00:00",""
"7055677","15.6115","0.0009","15.6115","0.0009","15.1842","0.0012","90","","90","","120","","3204.9","0.4","296","2","296","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","[CeMg1.5(oPDA)3(H2O)3]-3.5H2O","","- C21 H22 Ce Mg1.5 N3 O18.5 -","- C21 H18 Ce Mg1.5 N3 O18.5 -","- C84 H72 Ce4 Mg6 N12 O74 -","4","0.166667","","Huang, Yong-Qing; Wan, Yi; Chen, Huai-Ying; Wang, Yang; Zhao, Yue; Xiao, Xin-Feng","Construction of metal‒organic coordination networks with various metal-linker secondary building units: structures and properties","New J. Chem.","2016","40","9","7587","","10.1039/C6NJ01231K","","","0.71073","MoKα","","0.0282","0.025","","","0.0921","0.0947","","","","","","1.243","","","","has coordinates","186471","2020-10-21","18:00:00",""
"7055678","8.2782","0.0002","7.7779","0.0002","23.1597","0.0006","90","","99.957","0.002","90","","1468.72","0.06","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Peddarao, Thota; Baishya, Ashim; Barman, Milan Kr.; Kumar, Ajay; Nembenna, Sharanappa","Metal-free access of bulky N,N′-diarylcarbodiimides and their reduction: bulky N,N′-diarylformamidines","New J. Chem.","2016","40","9","7627","","10.1039/C6NJ00907G","","","0.71073","MoKα","","0.0814","0.0534","","","0.1783","0.2029","","","","","","1.199","","","","has coordinates","186473","2020-10-21","18:00:00",""
"7055679","16.202","0.002","7.6187","0.0011","20.676","0.003","90","","90","","90","","2552.2","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-dibromo-2-phenyl-1H-indene","","- C15 H10 Br2 -","- C15 H10 Br2 -","- C120 H80 Br16 -","8","1","","Singha, Raju; Ghosh, Munmun; Das, Saikat; Das, Dhiraj; Ray, Jayanta K.","Synthesis of 1,3-dibromo-2-aryl-1H-indenes via NBS mediated unusual bromination of 2-alkynylbenzaldoximes","New J. Chem.","2016","40","9","7269","","10.1039/C6NJ01201A","","","0.71073","MoKα","","0.0543","0.0292","","","0.0623","0.0733","","","","","","1.001","","","","has coordinates","186457","2020-10-21","18:00:00",""
"7055680","11.2417","0.0007","18.3142","0.0011","22.6389","0.0013","90","","101.822","0.006","90","","4562.1","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1- Ni-tpmc_binuclear complex","[Ni2(tpmc)(?-NO3)](NO3)3 (H2O)2","","- C34 H54 Li N13 Ni2 O20 -","- C34 H54 Li N13 Ni2 O20 -","- C136 H216 Li4 N52 Ni8 O80 -","4","1","","Ruiz-Herrera, Brenda Lizette; Flores-Álamo, Marcos; Toscano, Rubén Alfredo; Escudero, Roberto; Sosa-Torres, Martha Elena","Adsorption of water induces a reversible structural phase transition and colour change in new nickel(ii) macrocyclic complexes forming flexible supramolecular networks","New J. Chem.","2016","40","9","7465","","10.1039/C6NJ01621A","","","0.71073","MoKα","","0.0825","0.0586","","","0.147","0.1661","","","","","","1.04","","","","has coordinates","186466","2020-10-21","18:00:00",""
"7055681","11.2964","0.0008","18.8819","0.0014","20.7624","0.0013","87.453","0.005","89.238","0.004","83.96","0.005","4399.5","0.5","298","2","298","2","","","","","","","","6","P 1","P 1","1","2- Ni-tpmc-binuclear complex","[Ni2(tpmc)(?-NO3)](NO3)3 (H2O)2.3H2O","","- C68 H108 Li2 N24 Ni4 O35.5 -","- C68 H108 Li2 N24 Ni4 O35.5 -","- C136 H216 Li4 N48 Ni8 O71 -","2","2","","Ruiz-Herrera, Brenda Lizette; Flores-Álamo, Marcos; Toscano, Rubén Alfredo; Escudero, Roberto; Sosa-Torres, Martha Elena","Adsorption of water induces a reversible structural phase transition and colour change in new nickel(ii) macrocyclic complexes forming flexible supramolecular networks","New J. Chem.","2016","40","9","7465","","10.1039/C6NJ01621A","","","0.71073","MoKα","","0.0846","0.0626","","","0.1556","0.1705","","","","","","1.017","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055682","6.4175","0.0007","9.9444","0.0011","21.244","0.002","90","","91.437","0.002","90","","1355.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Co N10 O16 -","- C18 H16 Co N10 O16 -","- C36 H32 Co2 N20 O32 -","2","0.5","","Yang, Qi; Ge, Jing; Gong, Qibing; Song, Xiaxia; Zhao, Jinwen; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Two energetic complexes incorporating 3,5-dinitrobenzoic acid and azole ligands: microwave-assisted synthesis, favorable detonation properties, insensitivity and effects on the thermal decomposition of RDX","New J. Chem.","2016","40","9","7779","","10.1039/C6NJ00197A","","","0.71073","MoKα","","0.0507","0.0386","","","0.0934","0.0997","","","","","","1.011","","","","has coordinates","186451","2020-10-21","18:00:00",""
"7055683","7.9317","0.001","8.7062","0.001","11.2388","0.0015","100.563","0.002","107.502","0.002","104.506","0.002","687.88","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cu N6 O8 -","- C10 H6 Cu N6 O8 -","- C20 H12 Cu2 N12 O16 -","2","1","","Yang, Qi; Ge, Jing; Gong, Qibing; Song, Xiaxia; Zhao, Jinwen; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Two energetic complexes incorporating 3,5-dinitrobenzoic acid and azole ligands: microwave-assisted synthesis, favorable detonation properties, insensitivity and effects on the thermal decomposition of RDX","New J. Chem.","2016","40","9","7779","","10.1039/C6NJ00197A","","","0.71073","MoKα","","0.0699","0.0516","","","0.1046","0.1134","","","","","","1.001","","","","has coordinates","186451","2020-10-21","18:00:00",""
"7055684","11.6738","0.0005","13.8873","0.001","16.3146","0.0013","112.477","0.005","101.227","0.005","103.666","0.005","2251.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H42 Mo3 N O9 P3 S10 -","- C25 H42 Mo3 N O9 P3 S10 -","- C50 H84 Mo6 N2 O18 P6 S20 -","2","1","","Gushchin, Artem L.; Hernandez-Molina, Rita; Anyushin, Alexander V.; Gallyamov, Marsel R.; Gonzalez-Platas, Javier; Moroz, Nikolay K.; Sokolov, Maxim N.","Synthesis, structure and NMR studies of trinuclear Mo3S4clusters coordinated with dithiophosphate and chiral carboxylate ligands","New J. Chem.","2016","40","9","7612","","10.1039/C6NJ01303A","","","0.71073","MoKα","","0.0743","0.049","","","0.0903","0.0968","","","","","","1.183","","","","has coordinates,has disorder","186455","2020-10-21","18:00:00",""
"7055685","12.615","0.00014","15.8462","0.0002","22.5039","0.0003","90","","90","","90","","4498.53","0.1","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Mo3 N O9 P3 S10 -","- C26 H44 Mo3 N O9 P3 S10 -","- C104 H176 Mo12 N4 O36 P12 S40 -","4","1","","Gushchin, Artem L.; Hernandez-Molina, Rita; Anyushin, Alexander V.; Gallyamov, Marsel R.; Gonzalez-Platas, Javier; Moroz, Nikolay K.; Sokolov, Maxim N.","Synthesis, structure and NMR studies of trinuclear Mo3S4clusters coordinated with dithiophosphate and chiral carboxylate ligands","New J. Chem.","2016","40","9","7612","","10.1039/C6NJ01303A","","x-ray","1.54184","CuKα","","0.0298","0.0273","","","0.0651","0.0667","","","","","","1.023","","","","has coordinates","186455","2020-10-21","18:00:00",""
"7055686","10.6089","0.0008","11.667","0.0008","13.3789","0.001","77.684","0.005","78.335","0.005","76.227","0.005","1551.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N2 O2 -","- C36 H38 N2 O2 -","- C72 H76 N4 O4 -","2","1","","Khan, Md. Musawwer; Khan, Sarfaraz; Iqbal, Safia; Saigal, Saigal; Yousuf, Raveed","Synthesis of functionalized dihydro-2-oxypyrroles and tetrahydropyridines using 2,6-pyridinedicarboxylic acid as an efficient and mild organocatalyst","New J. Chem.","2016","40","9","7504","","10.1039/C6NJ01170E","","","0.71073","MoKα","","0.1108","0.052","","","0.1262","0.1512","","","","","","1.006","","","","has coordinates","186462","2020-10-21","18:00:00",""
"7055687","8.6748","0.0007","12.1683","0.0011","12.928","0.0012","116.966","0.003","101.242","0.002","90.567","0.001","1185.37","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 O4 Sn -","- C27 H22 N2 O4 Sn -","- C54 H44 N4 O8 Sn2 -","2","1","","Hong, Min; Chang, Guoliang; Li, Rui; Niu, Meiju","Anti-proliferative activity and DNA/BSA interactions of five mono- or di-organotin(iv) compounds derived from 2-hydroxy-N′-[(2-hydroxy-3-methoxyphenyl)methylidene]-benzohydrazone","New J. Chem.","2016","40","9","7889","","10.1039/C6NJ00525J","","","0.71073","MoKα","","0.0451","0.0348","","","0.0815","0.087","","","","","","0.963","","","","has coordinates","186467","2020-10-21","18:00:00",""
"7055688","10.878","0.0008","10.9209","0.0009","13.8141","0.0011","97.532","0.001","95.081","0.001","100.369","0.002","1589.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H46 N2 O4 Sn -","- C31 H46 N2 O4 Sn -","- C62 H92 N4 O8 Sn2 -","2","1","","Hong, Min; Chang, Guoliang; Li, Rui; Niu, Meiju","Anti-proliferative activity and DNA/BSA interactions of five mono- or di-organotin(iv) compounds derived from 2-hydroxy-N′-[(2-hydroxy-3-methoxyphenyl)methylidene]-benzohydrazone","New J. Chem.","2016","40","9","7889","","10.1039/C6NJ00525J","","","0.71073","MoKα","","0.069","0.0507","","","0.125","0.1351","","","","","","0.982","","","","has coordinates,has disorder","186467","2020-10-21","18:00:00",""
"7055689","9.8785","0.0008","10.6535","0.0009","10.9811","0.0009","101.831","0.002","92.732","0.001","91.731","0.001","1128.88","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 N2 O4 Sn -","- C23 H30 N2 O4 Sn -","- C46 H60 N4 O8 Sn2 -","2","1","","Hong, Min; Chang, Guoliang; Li, Rui; Niu, Meiju","Anti-proliferative activity and DNA/BSA interactions of five mono- or di-organotin(iv) compounds derived from 2-hydroxy-N′-[(2-hydroxy-3-methoxyphenyl)methylidene]-benzohydrazone","New J. Chem.","2016","40","9","7889","","10.1039/C6NJ00525J","","","0.71073","MoKα","","0.041","0.0344","","","0.0912","0.0964","","","","","","1.046","","","","has coordinates","186467","2020-10-21","18:00:00",""
"7055690","24.8432","0.0019","10.1733","0.0009","13.1461","0.0011","90","","90","","90","","3322.5","0.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H36 N4 O8 Sn2 -","- C34 H36 N4 O8 Sn2 -","- C136 H144 N16 O32 Sn8 -","4","0.5","","Hong, Min; Chang, Guoliang; Li, Rui; Niu, Meiju","Anti-proliferative activity and DNA/BSA interactions of five mono- or di-organotin(iv) compounds derived from 2-hydroxy-N′-[(2-hydroxy-3-methoxyphenyl)methylidene]-benzohydrazone","New J. Chem.","2016","40","9","7889","","10.1039/C6NJ00525J","","","0.71073","MoKα","","0.0712","0.0362","","","0.0746","0.0896","","","","","","1.038","","","","has coordinates","186467","2020-10-21","18:00:00",""
"7055691","8.6712","0.0009","11.7022","0.0011","12.4241","0.0013","106.805","0.002","94.688","0.001","109.026","0.002","1119.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cl2 N4 O11 Sn2 -","- C40 H52 Cl2 N4 O11 Sn2 -","- C40 H52 Cl2 N4 O11 Sn2 -","1","0.5","","Hong, Min; Chang, Guoliang; Li, Rui; Niu, Meiju","Anti-proliferative activity and DNA/BSA interactions of five mono- or di-organotin(iv) compounds derived from 2-hydroxy-N′-[(2-hydroxy-3-methoxyphenyl)methylidene]-benzohydrazone","New J. Chem.","2016","40","9","7889","","10.1039/C6NJ00525J","","","0.71073","MoKα","","0.0518","0.0459","","","0.12","0.1248","","","","","","1.018","","","","has coordinates","186467","2020-10-21","18:00:00",""
"7055692","8.567","0.0004","14.0926","0.0007","25.1175","0.0009","88.524","0.003","81.396","0.003","87.366","0.004","2994.6","0.2","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","[minSstearyl][NTf2]","2-(hexadecylthio)-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide","","- C22 H39 F6 N3 O4 S3 -","- C22 H39 F6 N3 O4 S3 -","- C88 H156 F24 N12 O16 S12 -","4","2","","O'Brien, Richard A.; Zayas, Manuel Sanchez; Nestor, Stephen T.; Gaitor, Jamie C.; Paul, Lauran M.; Edhegard, Forrest A.; Minkowicz, Samuel; Sykora, Richard E.; Sheng, Yinghong; Michael, Scott F.; Isern, Sharon; Mirjafari, Arsalan","Biomimetic design of protic lipidic ionic liquids with enhanced fluidity","New J. Chem.","2016","40","9","7795","","10.1039/C6NJ00657D","","","0.71073","MoKα","","0.0979","0.0524","","","0.1035","0.1237","","","","","","1.029","","","","has coordinates","186453","2020-10-21","18:00:00",""
"7055693","17.7839","0.0006","7.6076","0.0003","17.9304","0.0012","90","","90","","90","","2425.9","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cl2 Se -","- C12 H10 Cl2 Se -","- C96 H80 Cl16 Se8 -","8","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","Organoselenium-catalyzed vicinal dichlorination of unsaturated phosphonates","New J. Chem.","2016","40","9","7866","","10.1039/C6NJ00658B","","","1.54184","CuKα","","0.0564","0.0526","","","0.1395","0.1452","","","","","","1.072","","","","has coordinates","186454","2020-10-21","18:00:00",""
"7055694","5.65192","0.00016","18.5698","0.0006","19.0554","0.0005","90","","95.338","0.003","90","","1991.29","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl2 O P -","- C20 H17 Cl2 O P -","- C80 H68 Cl8 O4 P4 -","4","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","Organoselenium-catalyzed vicinal dichlorination of unsaturated phosphonates","New J. Chem.","2016","40","9","7866","","10.1039/C6NJ00658B","","","1.54184","CuKα","","0.0751","0.0673","","","0.2532","0.2604","","","","","","1.026","","","","has coordinates","186454","2020-10-21","18:00:00",""
"7055695","24.7459","0.0002","24.7459","0.0002","24.7459","0.0002","90","","90","","90","","15153.4","0.2","200","0.14","200","0.14","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C54 H72 Cl4 Mo3 N6 O3 S4 -","- C54 H72 Cl4 Mo3 N6 O3 S4 -","- C432 H576 Cl32 Mo24 N48 O24 S32 -","8","0.333333","","Pino-Chamorro, Jose A.; Laricheva, Yuliya A.; Guillamón, Eva; Fernández-Trujillo, M. Jesús; Bustelo, Emilio; Gushchin, Artem L.; Shmelev, Nikita Y.; Abramov, Pavel A.; Sokolov, Maxim N.; Llusar, Rosa; Basallote, Manuel G.; Algarra, Andrés G.","Cycloaddition of alkynes to diimino Mo3S4cubane-type clusters: a combined experimental and theoretical approach","New J. Chem.","2016","40","9","7872","","10.1039/C6NJ01787H","","","1.5418","CuKα","","0.1003","0.0625","","","0.1487","0.1741","","","","","","1.016","","","","has coordinates","186465","2020-10-21","18:00:00",""
"7055696","16.0589","0.0003","15.5077","0.0003","18.1719","0.0007","90","","95.27","0.002","90","","4506.3","0.2","130","1","130","1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C46 H36 Ag2 F6 N8 O6 S2 -","- C46 H36 Ag2 F6 N8 O6 S2 -","- C184 H144 Ag8 F24 N32 O24 S8 -","4","0.5","","Adamski, Ariel; Fik, Marta A.; Kubicki, Maciej; Hnatejko, Zbigniew; Gurda, Dorota; Fedoruk-Wyszomirska, Agnieszka; Wyszko, Eliza; Kruszka, Dariusz; Dutkiewicz, Zbigniew; Patroniak, Violetta","Full characterization and cytotoxic activity of new silver(i) and copper(i) helicates with quaterpyridine","New J. Chem.","2016","40","9","7943","","10.1039/C5NJ03601A","","","1.54184","CuKα","","0.0543","0.0531","","","0.1469","0.1481","","","","","","1.277","","","","has coordinates,has disorder","186468","2020-10-21","18:00:00",""
"7055697","12.5733","0.0004","23.2638","0.0006","16.2128","0.0005","90","","96.624","0.003","90","","4710.6","0.2","100","1","100","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C44 H36 Ag2 F12 N8 P2 -","- C44 H36 Ag2 F12 N8 P2 -","- C176 H144 Ag8 F48 N32 P8 -","4","0.5","","Adamski, Ariel; Fik, Marta A.; Kubicki, Maciej; Hnatejko, Zbigniew; Gurda, Dorota; Fedoruk-Wyszomirska, Agnieszka; Wyszko, Eliza; Kruszka, Dariusz; Dutkiewicz, Zbigniew; Patroniak, Violetta","Full characterization and cytotoxic activity of new silver(i) and copper(i) helicates with quaterpyridine","New J. Chem.","2016","40","9","7943","","10.1039/C5NJ03601A","","x-ray","0.71073","MoKα","","0.0372","0.0319","","","0.0895","0.0927","","","","","","1.095","","","","has coordinates,has disorder","186468","2020-10-21","18:00:00",""
"7055698","23.7716","0.0018","13.2745","0.0008","31.455","0.003","90","","117.247","0.011","90","","8824.5","1.5","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H36 Cu2 F6 N8 O6 S2 -","- C46 H36 Cu2 F6 N8 O6 S2 -","- C368 H288 Cu16 F48 N64 O48 S16 -","8","1","","Adamski, Ariel; Fik, Marta A.; Kubicki, Maciej; Hnatejko, Zbigniew; Gurda, Dorota; Fedoruk-Wyszomirska, Agnieszka; Wyszko, Eliza; Kruszka, Dariusz; Dutkiewicz, Zbigniew; Patroniak, Violetta","Full characterization and cytotoxic activity of new silver(i) and copper(i) helicates with quaterpyridine","New J. Chem.","2016","40","9","7943","","10.1039/C5NJ03601A","","x-ray","0.71073","MoKα","","0.0865","0.0516","","","0.1039","0.1171","","","","","","0.985","","","","has coordinates,has disorder","186468","2020-10-21","18:00:00",""
"7055699","14.1499","0.001","16.6539","0.001","22.4487","0.0013","90","","90","","90","","5290.1","0.6","100","1","100","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C59 H56 B2 Cu2 F8 N8 O -","- C59 H56 B2 Cu2 F8 N8 O -","- C236 H224 B8 Cu8 F32 N32 O4 -","4","0.5","","Adamski, Ariel; Fik, Marta A.; Kubicki, Maciej; Hnatejko, Zbigniew; Gurda, Dorota; Fedoruk-Wyszomirska, Agnieszka; Wyszko, Eliza; Kruszka, Dariusz; Dutkiewicz, Zbigniew; Patroniak, Violetta","Full characterization and cytotoxic activity of new silver(i) and copper(i) helicates with quaterpyridine","New J. Chem.","2016","40","9","7943","","10.1039/C5NJ03601A","","x-ray","0.71073","MoKα","","0.0755","0.0535","","","0.1569","0.1722","","","","","","1.271","","","","has coordinates,has disorder","186468","2020-10-21","18:00:00",""
"7055700","21.5008","0.001","12.8677","0.0006","16.1684","0.0007","90","","91.2161","0.0019","90","","4472.2","0.4","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H51 N3 O9 S -","- C50 H51 N3 O9 S -","- C200 H204 N12 O36 S4 -","4","1","","Klejch, Tomáš; Slavíček, Jan; Hudeček, Oldřich; Eigner, Václav; Gutierrez, Natalia Andrea; Cuřínová, Petra; Lhoták, Pavel","Calix[4]arenes containing a ureido functionality on the lower rim as highly efficient receptors for anion recognition","New J. Chem.","2016","40","9","7935","","10.1039/C6NJ01271J","","","1.5418","CuKα","","0.0946","0.0854","","0.1934","0.1863","0.1934","","","","","","0.8115","","","","has coordinates,has disorder","186474","2020-10-21","18:00:00",""
"7055701","9.1533","0.0018","23.791","0.005","18.215","0.004","90","","97.18","0.03","90","","3935.5","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H49 Cl2 Co N3 -","- C40.994 H49 Cl2 Co N3 -","- C163.976 H196 Cl8 Co4 N12 -","4","1","","Huang, Fang; Zhang, Wenjuan; Sun, Yang; Hu, Xinquan; Solan, Gregory A.; Sun, Wen-Hua","Thermally stable and highly active cobalt precatalysts for vinyl-polyethylenes with narrow polydispersities: integrating fused-ring and imino-carbon protection into ligand design","New J. Chem.","2016","40","9","8012","","10.1039/C6NJ01867J","","","0.71073","MoKα","","","0.0555","","","0.1271","0.1362","","","","","","1.096","","","","has coordinates,has disorder","186469","2020-10-21","18:00:00",""
"7055702","16.066","0.002","19.561","0.002","15.994","0.002","90","","99.274","0.002","90","","4960.7","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","03115","","","- C36 H80 Ca I2 N8 O4 -","- C36 H80 Ca I2 N8 O4 -","- C144 H320 Ca4 I8 N32 O16 -","4","0.5","","Fitts, Lacey S.; Bierschenk, Eric J.; Hanusa, Timothy P.; Rheingold, Arnold L.; Pink, Maren; Young, Victor G.","Selective modification of the metal coordination environment in heavy alkaline‒earth iodide complexes","New J. Chem.","2016","40","10","8229","","10.1039/C6NJ01713D","","","0.71073","MoKα","","0.0331","0.0254","","","0.0629","0.0681","","","","","","1.017","","","","has coordinates,has disorder","187172","2020-10-21","18:00:00",""
"7055703","14.34","0.002","15.857","0.002","14.444","0.002","90","","105.616","0.003","90","","3163.2","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","02250a","","","- C24 H38 Ca I2 N2 O7 -","- C24 H38 Ca I2 N2 O7 -","- C96 H152 Ca4 I8 N8 O28 -","4","0.5","","Fitts, Lacey S.; Bierschenk, Eric J.; Hanusa, Timothy P.; Rheingold, Arnold L.; Pink, Maren; Young, Victor G.","Selective modification of the metal coordination environment in heavy alkaline‒earth iodide complexes","New J. Chem.","2016","40","10","8229","","10.1039/C6NJ01713D","","","0.71073","MoKα","","0.0522","0.0355","","","0.0861","0.0936","","","","","","1.101","","","","has coordinates","187172","2020-10-21","18:00:00",""
"7055704","13.0031","0.0008","17.628","0.001","28.16","0.002","90","","90","","90","","6454.8","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","99290","","","- C45 H105 Ca I2 O5 P5 -","- C45 H105 Ca I2 O5 P5 -","- C180 H420 Ca4 I8 O20 P20 -","4","1","","Fitts, Lacey S.; Bierschenk, Eric J.; Hanusa, Timothy P.; Rheingold, Arnold L.; Pink, Maren; Young, Victor G.","Selective modification of the metal coordination environment in heavy alkaline‒earth iodide complexes","New J. Chem.","2016","40","10","8229","","10.1039/C6NJ01713D","","","0.71073","MoKα","","0.0823","0.0447","","","0.101","0.1148","","","","","","0.925","","","","has coordinates","187172","2020-10-21","18:00:00",""
"7055705","12.1294","0.0003","14.6056","0.0003","22.7585","0.0005","90","","102.536","0.001","90","","3935.71","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C90 H75 Ba I2 O5 P5 -","- C90 H75 Ba I2 O5 P5 -","- C180 H150 Ba2 I4 O10 P10 -","2","1","","Fitts, Lacey S.; Bierschenk, Eric J.; Hanusa, Timothy P.; Rheingold, Arnold L.; Pink, Maren; Young, Victor G.","Selective modification of the metal coordination environment in heavy alkaline‒earth iodide complexes","New J. Chem.","2016","40","10","8229","","10.1039/C6NJ01713D","","","0.71073","MoKα","","0.0248","0.0229","","","0.0444","0.0451","","","","","","0.991","","","","has coordinates","187172","2020-10-21","18:00:00",""
"7055706","9.18","0.0006","9.4741","0.0006","14.4358","0.001","90.556","0.006","107.977","0.005","97.243","0.005","1183.12","0.14","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","1,2-Di(1-naphthyl)-1,2-ethanediaminogold(III)chloride.dihydrate","","- C22 H24 Au Cl3 N2 O2 -","- C22 H24 Au Cl3 N2 O2 -","- C44 H48 Au2 Cl6 N4 O4 -","2","1","","Altaf, Muhammad; Ahmad, Saeed; Kawde, Abdel-Nasser; Baig, Nadeem; Alawad, Abdullah; Altuwaijri, Saleh; Stoeckli-Evans, Helen; Isab, Anvarhusein A.","Synthesis, structural characterization, electrochemical behavior and anticancer activity of gold(iii) complexes of meso-1,2-di(1-naphthyl)-1,2-diaminoethane and tetraphenylporphyrin","New J. Chem.","2016","40","10","8288","","10.1039/C6NJ00692B","","","0.71073","MoKα","","0.0483","0.039","","","0.0885","0.091","","","","","","0.99","","","","has coordinates","187169","2020-10-21","18:00:00",""
"7055712","16.7455","0.0006","13.1161","0.0004","16.7312","0.0006","90","","110.758","0.002","90","","3436.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexa(2,4-nonanedionate)(2,2'-bipyrimidine)di-erbium(III)","","- C31 H48 Er N2 O6 -","- C31 H48 Er N2 O6 -","- C124 H192 Er4 N8 O24 -","4","1","","Martín-Ramos, P.; Pereira, L. C. J.; Coutinho, J. T.; Koprowiak, F.; Bolvin, H.; Lavín, V.; Martín, I. R.; Martín-Gil, J.; Silva, M. Ramos","Structure, luminescence and magnetic properties of an erbium(iii) β-diketonate homodinuclear complex","New J. Chem.","2016","40","10","8251","","10.1039/C6NJ01598K","","","0.71073","MoKα","","0.1204","0.054","","","0.1085","0.146","","","","","","1.107","","","","has coordinates,has disorder","187170","2020-10-21","18:00:00",""
"7055713","3.9725","0.0005","7.5945","0.0008","11.1824","0.0014","91.402","0.007","91.093","0.007","90.206","0.007","337.2","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","Gd3S3BO3","","","- B Gd3 O3 S3 -","- B Gd3 O3 S3 -","- B2 Gd6 O6 S6 -","2","1","","Chi, Yang; Guo, Sheng-Ping; Kong, Hong-Jian; Xue, Huai-Guo","Crystal and electronic structures, and optical and magnetic properties of novel rare-earth sulfide borates RE3S3BO3(RE = Sm, Gd)","New J. Chem.","2016","40","8","6720","","10.1039/C6NJ00549G","","","0.71073","MoKα","","0.0523","0.0379","","","0.084","0.0897","","","","","","1.04","","","","has coordinates","185075","2020-10-21","18:00:00",""
"7055714","15.389","0.001","11.081","0.001","18.832","0.001","90","","105.234","0.001","90","","3098.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 1","","","- C34 H46 P2 Sm -","- C34 H46 P2 Sm -","- C136 H184 P8 Sm4 -","4","1","","Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Electron transfer in tetramethylbiphosphinine complexes of Cp*2Yb and Cp*2Sm","New J. Chem.","2016","40","8","6643","","10.1039/C6NJ00527F","","","0.71069","MoKα","","0.0904","0.0618","","","0.1152","0.1297","","","","","","1.058","","","","has coordinates","185076","2020-10-21","18:00:00",""
"7055715","9.821","0.001","10.697","0.001","15.776","0.001","77.407","0.001","74.304","0.001","75.918","0.001","1526.9","0.2","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","Compound 2","","","- C34 H46 P2 Yb -","- C34 H46 P2 Yb -","- C68 H92 P4 Yb2 -","2","1","","Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Electron transfer in tetramethylbiphosphinine complexes of Cp*2Yb and Cp*2Sm","New J. Chem.","2016","40","8","6643","","10.1039/C6NJ00527F","","","0.71069","MoKα","","0.059","0.049","","","0.1101","0.1175","","","","","","1.084","","","","has coordinates","185076","2020-10-21","18:00:00",""
"7055716","9.505","0.003","5.3533","0.0016","19.925","0.006","90","","93.847","0.009","90","","1011.6","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N4 Pt S6 -","- C14 H20 N4 Pt S6 -","- C28 H40 N8 Pt2 S12 -","2","0.5","","Deiana, Carlo; Carla Aragoni, M.; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Slawin, Alexandra M. Z.; Derek Woollins, J.; Arca, Massimiliano","Structural tailoring of the NIR-absorption of bis(1,2-dichalcogenolene) Ni/Pt electrochromophores deriving from 1,3-dimethyl-2-chalcogenoxo-imidazoline-4,5-dichalcogenolates","New J. Chem.","2016","40","10","8206","","10.1039/C6NJ01854H","","","0.71073","MoKα","","0.0366","0.0308","","","0.059","0.0625","","","","","","1.062","","","","has coordinates","187160","2020-10-21","18:00:00",""
"7055717","15.22","0.03","27.66","0.05","14.27","0.03","90","","90","","90","","6007","2","293","2","293","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C40 H60 B2 Fe2 Mn N18 O6 -","- C40 H50 B2 Fe2 Mn N18 O2 -","- C160 H200 B8 Fe8 Mn4 N72 O8 -","4","0.25","","Dong, Dapeng; Zhang, Yanjuan; Jiao, Chengqi; Zhao, Liang; Liu, Tao; Liu, Dedi; Li, Zhenghua; Liu, Jia; Liu, Dongping","Syntheses, structures, and magnetic properties of three new cyano-bridged heterobimetallic chains based on [Fe(Tp*)(CN)3]−","New J. Chem.","2016","40","10","8451","","10.1039/C6NJ01015F","","","0.71073","MoKα","","0.1238","0.0629","","","0.1644","0.1855","","","","","","1.004","","","","has coordinates","187162","2020-10-21","18:00:00",""
"7055718","15.022","0.009","26.818","0.017","13.992","0.009","90","","90","","90","","5637","6","273","2","273","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C40 H60 B2 Co Fe2 N18 O6 -","- C40 H48 B2 Co Fe2 N18 O2 -","- C160 H192 B8 Co4 Fe8 N72 O8 -","4","0.25","","Dong, Dapeng; Zhang, Yanjuan; Jiao, Chengqi; Zhao, Liang; Liu, Tao; Liu, Dedi; Li, Zhenghua; Liu, Jia; Liu, Dongping","Syntheses, structures, and magnetic properties of three new cyano-bridged heterobimetallic chains based on [Fe(Tp*)(CN)3]−","New J. Chem.","2016","40","10","8451","","10.1039/C6NJ01015F","","","0.71073","MoKα","","0.0875","0.0582","","","0.1642","0.1757","","","","","","1.041","","","","has coordinates","187162","2020-10-21","18:00:00",""
"7055719","14.97","0.02","27.32","0.04","14.14","0.02","90","","90","","90","","5783","14","273","2","273","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C40 H60 B2 Fe3 N18 O6 -","- C40 H50 B2 Fe3 N18 O2 -","- C160 H200 B8 Fe12 N72 O8 -","4","0.25","","Dong, Dapeng; Zhang, Yanjuan; Jiao, Chengqi; Zhao, Liang; Liu, Tao; Liu, Dedi; Li, Zhenghua; Liu, Jia; Liu, Dongping","Syntheses, structures, and magnetic properties of three new cyano-bridged heterobimetallic chains based on [Fe(Tp*)(CN)3]−","New J. Chem.","2016","40","10","8451","","10.1039/C6NJ01015F","","","0.71073","MoKα","","0.104","0.0579","","","0.1421","0.1618","","","","","","1.039","","","","has coordinates","187162","2020-10-21","18:00:00",""
"7055720","14.4151","0.0008","7.5086","0.0004","31.8698","0.0018","90","","99.194","0.002","90","","3405.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(E)-3-(3-bromo-4-(dimethylamino)phenyl)-1-(3-chloro-4-methoxyphenyl)prop-2-en-1-one","(E)-3-(3-bromo-4-(dimethylamino)phenyl)-1-(3-chloro-4-methoxyphenyl)prop-2-en-1-one","","- C18 H17 Br Cl N O2 -","- C18 H17 Br Cl N O2 -","- C144 H136 Br8 Cl8 N8 O16 -","8","2","","Vaz, Patricia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement in halochalcones","New J. Chem.","2016","40","10","8198","","10.1039/C6NJ01387B","","","0.71073","MoKα","","0.0545","0.0347","","","0.0726","0.0793","","","","","","1.041","","","","has coordinates","187167","2020-10-21","18:00:00",""
"7055721","14.4606","0.0006","7.4161","0.0003","31.678","0.0013","90","","97.798","0.002","90","","3365.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(E)-3-(3-chloro-4-(dimethylamino)phenyl)-1-(3-chloro-4-methoxyphenyl)prop-2-en-1-one","(E)-3-(3-chloro-4-(dimethylamino)phenyl)-1-(3-chloro-4-methoxyphenyl)prop-2-en-1-one","","- C18 H17 Cl2 N O2 -","- C18 H17 Cl2 N O2 -","- C144 H136 Cl16 N8 O16 -","8","2","","Vaz, Patricia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement in halochalcones","New J. Chem.","2016","40","10","8198","","10.1039/C6NJ01387B","","","0.71073","MoKα","","0.0672","0.0397","","","0.0802","0.0895","","","","","","1.012","","","","has coordinates","187167","2020-10-21","18:00:00",""
"7055722","8.8051","0.0016","13.364","0.002","9.6474","0.0017","90","","107.1","0.002","90","","1085","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H25 Cl6 N4 O2 W -","- C10 H25 Cl6 N4 O2 W -","- C20 H50 Cl12 N8 O4 W2 -","2","0.5","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0417","0.0339","","","0.0813","0.0891","","","","","","1.097","","","","has coordinates,has disorder","187171","2020-10-21","18:00:00",""
"7055723","10.165","0.004","11.202","0.004","15.614","0.008","97.21","0.006","105.984","0.006","114.048","0.004","1502.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl6 N4 O2 W -","- C26 H25 Cl6 N4 O2 W -","- C52 H50 Cl12 N8 O4 W2 -","2","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0614","0.0372","","","0.0799","0.0888","","","","","","0.979","","","","has coordinates","187171","2020-10-21","18:00:00",""
"7055724","10.18","0.003","15.365","0.004","22.009","0.006","90","","90","","90","","3442.6","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Cl5 N2 O W -","- C3 H8 Cl5 N2 O W -","- C36 H96 Cl60 N24 O12 W12 -","12","3","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0712","0.0458","","","0.0898","0.0997","","","","","","1.018","","","","has coordinates","187171","2020-10-21","18:00:00",""
"7055725","9.1938","0.0018","14.574","0.003","9.857","0.002","90","","96.519","0.002","90","","1312.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 Cl5 N2 O W -","- C5 H12 Cl5 N2 O W -","- C20 H48 Cl20 N8 O4 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0371","0.0295","","","0.063","0.0653","","","","","","1.019","","","","has coordinates","187171","2020-10-21","18:00:00",""
"7055726","9.7817","0.0006","12.5746","0.0007","13.7251","0.0008","90","","91.979","0.001","90","","1687.19","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 Cl4 N2 O2 W -","- C9 H21 Cl4 N2 O2 W -","- C36 H84 Cl16 N8 O8 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0262","0.0203","","","0.0413","0.0433","","","","","","1.038","","","","has coordinates","187171","2020-10-21","18:00:00",""
"7055727","9.483","0.002","10.127","0.002","11.202","0.002","90","","89.971","0.002","90","","1075.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 Cl4 N2 O2 W -","- C3 H8 Cl4 N2 O2 W -","- C12 H32 Cl16 N8 O8 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0646","0.0604","","","0.1436","0.147","","","","","","1.225","","","","has coordinates","187171","2020-10-21","18:00:00",""
"7055728","11.0742","0.0016","11.0742","0.0016","6.4127","0.0009","90","","90","","90","","786.44","0.19","100","2","100","2","","","","","","","no","5","P -4","P -4","81","bis(TMS)selenophenedioxide","bis(TMS)selenophenedioxide","","- C10 H20 O2 Se Si2 -","- C10 H20 O2 Se Si2 -","- C20 H40 O4 Se2 Si4 -","2","0.5","","Masuda, Toshiyuki; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru","Facile synthesis of 2,5-bis(silyl)selenophene-1,1-dioxide and its photophysical properties","New J. Chem.","2016","40","10","8593","","10.1039/C6NJ01886F","","","0.71073","MoKα","","0.024","0.0238","","","0.0709","0.0709","","","","","","0.945","","","","has coordinates,has disorder","187173","2020-10-21","18:00:00",""
"7055729","14.666","0.004","14.776","0.004","6.4741","0.0016","90","","90","","90","","1403","0.6","100","2","100","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","1,4-bisTMSselenophene","1,4-bisTMSselenophene","","- C10 H20 Se Si2 -","- C10 H22 Se Si2 -","- C40 H88 Se4 Si8 -","4","0.5","","Masuda, Toshiyuki; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru","Facile synthesis of 2,5-bis(silyl)selenophene-1,1-dioxide and its photophysical properties","New J. Chem.","2016","40","10","8593","","10.1039/C6NJ01886F","","","0.71073","MoKα","","0.027","0.0238","","","0.0587","0.06","","","","","","1.033","","","","has coordinates","187173","2020-10-21","18:00:00",""
"7055730","12.923","0.003","12.032","0.002","22.59","0.008","90","","108.13","0.03","90","","3338.1","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cu Fe Gd N8 O11 -","- C25 H20 Cu Fe Gd N8 O11 -","- C100 H80 Cu4 Fe4 Gd4 N32 O44 -","4","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.0485","0.0352","","","0.0831","0.0912","","","","","","1.038","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055731","12.889","0.003","12.035","0.002","22.242","0.008","90","","105.12","0.03","90","","3330.7","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cu Fe N8 O11 Tb -","- C25 H30 Cu Fe N8 O11 Tb -","- C100 H120 Cu4 Fe4 N32 O44 Tb4 -","4","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.0506","0.0383","","","0.095","0.1037","","","","","","1.035","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055732","8.5391","0.0002","24.9879","0.0008","15.7226","0.0005","90","","92.0769","0.0012","90","","3352.59","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H31.5 Cu Dy Fe N8 O9.75 -","- C25 H24 Cu Dy Fe N8 O9.75 -","- C100 H96 Cu4 Dy4 Fe4 N32 O39 -","4","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.0449","0.0346","","","0.0837","0.0883","","","","","","1.021","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055733","21.1918","0.0009","23.32","0.0008","26.6459","0.0012","90","","90","","90","","13168.2","0.9","173","2","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53 H67.5 Cu2 Fe Gd N12.5 O14 -","- C53 H55.5 Cu2 Fe Gd N12.5 O14 -","- C424 H444 Cu16 Fe8 Gd8 N100 O112 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.1608","0.0922","","","0.212","0.2434","","","","","","1.102","","","","has coordinates","187159","2020-10-21","18:00:00",""
"7055734","21.0615","0.0009","23.2526","0.0009","26.6468","0.0009","90","","90","","90","","13049.9","0.9","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H74 Cu2 Fe N14 O15 Y -","- C56 H70 Cu2 Fe N14 O15 Y -","- C448 H560 Cu16 Fe8 N112 O120 Y8 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.1097","0.0596","","","0.1127","0.1302","","","","","","1.052","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055735","21.085","0.004","23.379","0.005","26.922","0.005","90","","90","","90","","13271","5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53 H65.5 Cu2 Dy Fe N12.5 O12.5 -","- C51 H52.5 Cu2 Dy Fe N11.5 O14 -","- C408 H420 Cu16 Dy8 Fe8 N92 O112 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.142","0.0758","","","0.1561","0.1842","","","","","","1.039","","","","has coordinates","187159","2020-10-21","18:00:00",""
"7055736","21.134","0.011","23.479","0.012","26.843","0.014","90","","90","","90","","13320","12","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H63.5 Cu2 Fe N11.5 O13.5 Tb -","- C51 H52.5 Cu2 Fe N11.5 O13.5 Tb -","- C408 H420 Cu16 Fe8 N92 O108 Tb8 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.1439","0.0683","","","0.1819","0.2171","","","","","","1.022","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055743","4.791","0.001","16.125","0.004","20.85","0.005","90","","90","","90","","1610.8","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Darabi, Farivash; Hadadzadeh, Hassan; Simpson, Jim; Shahpiri, Azar","A water-soluble Pd(ii) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines","New J. Chem.","2016","40","11","9081","","10.1039/C6NJ01880G","","","0.71073","MoKα","","0.2174","0.0329","","","0.0278","0.0458","","","","","","0.827","","","","has coordinates","188262","2020-10-21","18:00:00",""
"7055744","29.3162","0.0006","29.3162","0.0006","5.0991","0.0002","90","","90","","90","","4382.4","0.2","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","(4'-(4-Hydroxyphenyl)-2,2':6',2''-terpyridine-κ^3^N)chloridopalladium(II)","","- C21 H17 Cl2 N3 O2.8 Pd -","- C21 H17 Cl2 N3 O2.8 Pd -","- C168 H136 Cl16 N24 O22.4 Pd8 -","8","","","Darabi, Farivash; Hadadzadeh, Hassan; Simpson, Jim; Shahpiri, Azar","A water-soluble Pd(ii) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines","New J. Chem.","2016","40","11","9081","","10.1039/C6NJ01880G","","","1.54184","CuKα","","0.1118","0.1059","","","0.2899","0.2936","","","","","","1.188","","","","has coordinates","188262","2020-10-21","18:00:00",""
"7055745","20.923","0.005","21.41","0.005","8.2496","0.0019","90","","104.003","0.003","90","","3585.7","1.5","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Eu O7 -","- C21 H12 Eu O7 -","- C168 H96 Eu8 O56 -","8","1","","Wang, Jian; Wang, Jingru; Li, Yang; Jiang, Min; Zhang, Lingwen; Wu, Pengyan","A europium(iii)-based metal‒organic framework as a naked-eye and fast response luminescence sensor for acetone and ferric iron","New J. Chem.","2016","40","10","8600","","10.1039/C6NJ02163H","","","0.71073","MoKα","","0.0293","0.0236","","","0.0584","0.0616","","","","","","1.011","","","","has coordinates","187161","2020-10-21","18:00:00",""
"7055746","7.137","0.0004","12.7274","0.0007","14.9056","0.0009","68.085","0.004","79.864","0.004","88.108","0.004","1235.72","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl N5 O9 V -","- C21 H21 Cl N5 O9 V -","- C42 H42 Cl2 N10 O18 V2 -","2","1","","Palmajumder, Eshita; Patra, Swarup; Drew, Michael G. B.; Mukherjea, Kalyan K.","Vanadium bromoperoxidase (VBrPO) mimics: synthesis, structure and a comparative account of the catalytic activity of newly synthesized oxidovanadium and oxido-peroxidovanadium complexes","New J. Chem.","2016","40","10","8696","","10.1039/C6NJ00767H","","","0.71073","MoKα","","0.0753","0.0536","","","0.1419","0.1556","","","","","","1.033","","","","has coordinates,has disorder","187164","2020-10-21","18:00:00",""
"7055747","9.3945","0.0002","9.773","0.0003","11.4652","0.0003","95.855","0.002","92.247","0.002","98.309","0.002","1034.61","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N6 O3 V -","- C22 H20 N6 O3 V -","- C44 H40 N12 O6 V2 -","2","1","","Palmajumder, Eshita; Patra, Swarup; Drew, Michael G. B.; Mukherjea, Kalyan K.","Vanadium bromoperoxidase (VBrPO) mimics: synthesis, structure and a comparative account of the catalytic activity of newly synthesized oxidovanadium and oxido-peroxidovanadium complexes","New J. Chem.","2016","40","10","8696","","10.1039/C6NJ00767H","","","0.71073","MoKα","","0.0677","0.0455","","","0.1054","0.1154","","","","","","1.033","","","","has coordinates","187164","2020-10-21","18:00:00",""
"7055748","11.3846","0.0004","11.2191","0.0004","13.1581","0.0005","90","","91.2636","0.0005","90","","1680.21","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B F4 N3 O Rh -","- C16 H19 B F4 N3 O Rh -","- C64 H76 B4 F16 N12 O4 Rh4 -","4","1","","Yao, Zi-Jian; Li, Kuan; Zhang, Jian-Yong; Deng, Wei","[NO]- and [NN]-coordination mode rhodium complexes based on a flexible ligand: synthesis, reactivity and catalytic activity","New J. Chem.","2016","40","10","8753","","10.1039/C6NJ02416E","","","0.71073","MoKα","","0.0237","0.0204","","","0.0482","0.0502","","","","","","1.071","","","","has coordinates,has disorder","187166","2020-10-21","18:00:00",""
"7055749","10.9656","0.0005","10.4739","0.0005","13.1256","0.0006","90","","113.987","0.0006","90","","1377.32","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N3 O Rh -","- C16 H18 N3 O Rh -","- C64 H72 N12 O4 Rh4 -","4","1","","Yao, Zi-Jian; Li, Kuan; Zhang, Jian-Yong; Deng, Wei","[NO]- and [NN]-coordination mode rhodium complexes based on a flexible ligand: synthesis, reactivity and catalytic activity","New J. Chem.","2016","40","10","8753","","10.1039/C6NJ02416E","","","0.71073","MoKα","","0.0172","0.0167","","","0.0412","0.0415","","","","","","1.06","","","","has coordinates","187166","2020-10-21","18:00:00",""
"7055750","15.423","0.005","41.104","0.005","9.126","0.005","90","0.005","120.433","0.005","90","0.005","4988","3","327","2","327","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 N3 S -","- C32 H23 N3 S -","- C256 H184 N24 S8 -","8","2","","Xu, Shasha; Zhu, Yingzhong; Li, Rui; Su, Jian; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Thiophene-based pyridine derivatives: synthesis, crystal structures, two-photon absorption properties and bio-imaging applications in the near-IR region","New J. Chem.","2016","40","10","8809","","10.1039/C6NJ00845C","","","0.71069","MoKα","","0.1083","0.0549","","","0.1573","0.2163","","","","","","0.78","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055751","13.288","0.005","40.706","0.005","9.1","0.005","90","0.005","95.255","0.005","90","0.005","4902","3","327","2","327","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N4 S -","- C31 H22 N4 S -","- C248 H176 N32 S8 -","8","2","","Xu, Shasha; Zhu, Yingzhong; Li, Rui; Su, Jian; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Thiophene-based pyridine derivatives: synthesis, crystal structures, two-photon absorption properties and bio-imaging applications in the near-IR region","New J. Chem.","2016","40","10","8809","","10.1039/C6NJ00845C","","","0.71069","MoKα","","0.1353","0.0561","","","0.1389","0.191","","","","","","0.923","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055752","15.6424","0.001","9.5888","0.0008","20.3871","0.0011","90","","108.266","0.006","90","","2903.8","0.4","297.56","0.19","297.56","0.19","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 N5 -","- C36 H35 N5 -","- C144 H140 N20 -","4","0.5","","Li, Chunchun; Yang, Wen; Zhou, Weiqun; Zhang, Mengmeng; Xue, Renyu; Li, Mengying; Cheng, Zhongqin","Branching effect for aggregation-induced emission in fluorophores containing imine and triphenylamine structures","New J. Chem.","2016","40","10","8837","","10.1039/C6NJ01558A","","x-ray","0.71073","MoKα","","0.0829","0.0487","","","0.1427","0.1711","","","","","","0.982","","","","has coordinates","187165","2020-10-21","18:00:00",""
"7055753","7.6197","0.0018","18.829","0.005","15.36","0.004","90","","90.93","0.02","90","","2203.4","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N3 -","- C27 H25 N3 -","- C108 H100 N12 -","4","1","","Li, Chunchun; Yang, Wen; Zhou, Weiqun; Zhang, Mengmeng; Xue, Renyu; Li, Mengying; Cheng, Zhongqin","Branching effect for aggregation-induced emission in fluorophores containing imine and triphenylamine structures","New J. Chem.","2016","40","10","8837","","10.1039/C6NJ01558A","","","0.71073","MoKα","","0.1489","0.0589","","","0.1081","0.1453","","","","","","0.941","","","","has coordinates","187165","2020-10-21","18:00:00",""
"7055754","5.46953","0.00004","25.01189","0.00017","10.72878","0.00009","90","","113.059","0.0007","90","","1350.47","0.019","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-[4-hydroxy-2-(hydroxymethyl)-1,3-dioxolane-2,4-diyl]di(butan-1-one)","","- C12 H20 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","1","","Trzewik, Bartosz; Chruszcz-Lipska, Katarzyna; Miłaczewska, Anna; Opalińska-Piskorz, Joanna; Karcz, Robert; Gryboś, Robert; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Łasocha, Wiesław; Fitch, Andy; Sulikowski, Bogdan; Borowski, Tomasz","Synthesis and the crystal structure of dimeric 1-hydroxyhexane-2,3-dione and the spectral characteristics of a model acireductone","New J. Chem.","2016","40","11","9291","","10.1039/C6NJ00562D","powder diffraction","x-ray","0.40087","synchrotron","","0.1309","0.1033","","0.0873","0.0834","","","","1.97","","","","","","","has coordinates","188256","2020-10-21","18:00:00",""
"7055755","5.4695","","25.0119","","10.7288","","90","","113.059","","90","","1350.46","","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-[4-hydroxy-2-(hydroxymethyl)-1,3-dioxolane-2,4-diyl]di(butan-1-one)","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Trzewik, Bartosz; Chruszcz-Lipska, Katarzyna; Miłaczewska, Anna; Opalińska-Piskorz, Joanna; Karcz, Robert; Gryboś, Robert; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Łasocha, Wiesław; Fitch, Andy; Sulikowski, Bogdan; Borowski, Tomasz","Synthesis and the crystal structure of dimeric 1-hydroxyhexane-2,3-dione and the spectral characteristics of a model acireductone","New J. Chem.","2016","40","11","9291","","10.1039/C6NJ00562D","powder diffraction","x-ray","0.40087","synchrotron","","0.123","0.1149","","0.1279","0.1265","","","","2.59","","","","","","","has coordinates","188256","2020-10-21","18:00:00",""
"7055756","8.66567","0.00019","9.3865","0.0003","10.4897","0.0003","84.169","0.002","87.2611","0.0019","64.997","0.002","769.26","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","4-ethenylbenzyl N'-[(E)-phenylmethylidene]carbamohydrazonothioate","","- C17 H17 N3 S -","- C17 H17 N3 S -","- C34 H34 N6 S2 -","2","1","","Markiewicz, Karolina H.; Zembko, Paula; Półtorak, Katarzyna; Misztalewska, Iwona; Wojtulewski, Sławomir; Majcher, Anna M.; Fornal, Emilia; Wilczewska, Agnieszka Z.","Magnetic nanoparticles with chelating shells prepared by RAFT/MADIX polymerization","New J. Chem.","2016","40","11","9223","","10.1039/C6NJ01938B","","x-ray","0.71073","MoKα","","0.0519","0.0404","","","0.1062","0.1179","","","","","","1.0978","","","","has coordinates","188259","2020-10-21","18:00:00",""
"7055757","9.4176","0.0002","10.2256","0.0002","11.864","0.0003","67.799","0.002","68.787","0.002","66.31","0.002","938.48","0.04","100.1","0.6","100.1","0.6","","","","","","","","6","P -1","-P 1","2","","(1E,2E)-1-{amino[(4-ethenylbenzyl)sulfanyl]methylidene}-2-benzylidenehydrazinium chloride - methanol (1:1:1)","","- C18 H22 Cl N3 O S -","- C18 H22 Cl N3 O S -","- C36 H44 Cl2 N6 O2 S2 -","2","1","","Markiewicz, Karolina H.; Zembko, Paula; Półtorak, Katarzyna; Misztalewska, Iwona; Wojtulewski, Sławomir; Majcher, Anna M.; Fornal, Emilia; Wilczewska, Agnieszka Z.","Magnetic nanoparticles with chelating shells prepared by RAFT/MADIX polymerization","New J. Chem.","2016","40","11","9223","","10.1039/C6NJ01938B","","x-ray","0.71073","MoKα","","0.0656","0.0446","","","0.1116","0.1258","","","","","","1.034","","","","has coordinates","188259","2020-10-21","18:00:00",""
"7055758","8.8665","0.0003","12.6487","0.0005","21.9234","0.0009","90","","90","","90","","2458.7","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N3 O6 S -","- C24 H29 N3 O6 S -","- C96 H116 N12 O24 S4 -","4","1","","Ingole, Tukaram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","3-Aminothiophenecarboxylic acid (3-Atc)-induced folding in peptides","New J. Chem.","2016","40","11","9205","","10.1039/C6NJ01667G","","","0.71073","MoKα","","0.033","0.0315","","","0.0793","0.0801","","","","","","1.067","","","","has coordinates","188268","2020-10-21","18:00:00",""
"7055759","16.6624","0.0017","15.2623","0.0014","19.0219","0.0016","90","","104.39","0.01","90","","4685.6","0.8","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 Br Cu N2 O4 -","- C47 H58 Br Cu N2 O4 -","- C188 H232 Br4 Cu4 N8 O16 -","4","1","","Ourri, Benjamin; Tillement, Olivier; Tu, Tao; Jeanneau, Erwann; Darbost, Ulrich; Bonnamour, Isabelle","Copper complexes bearing an NHC–calixarene unit: synthesis and application in click chemistry","New J. Chem.","2016","40","11","9477","","10.1039/C6NJ02089E","","x-ray","1.54184","CuKα","","0.0905","0.074","","0.1745","0.1491","0.174","","","","","","1.0181","","","","has coordinates","288640","2024-01-03","12:53:03",""
"7055760","15.1315","0.0005","28.8618","0.0011","35.9491","0.0013","104.778","0.002","94.065","0.002","92.353","0.002","15113.8","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C162.5 H199.5 Cl2.5 N10 O12 S8 -","- C162.5 H199.5 Cl2.5 N10 O12 S8 -","- C650 H798 Cl10 N40 O48 S32 -","4","2","","Rahman, Shofiur; Tomiyasu, Hirotsugu; Kawazoe, Hiroto; Zhao, Jiang-Lin; Cong, Hang; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Warwick, Thomas G.; Teat, Simon J.; Redshaw, Carl; Georghiou, Paris E.; Yamato, Takehiko","A study of anion binding behaviour of 1,3-alternate thiacalix[4]arene-based receptors bearing urea moieties","New J. Chem.","2016","40","11","9245","","10.1039/C6NJ00923A","","","0.7749","synchrotron","","0.11","0.0675","","","0.1629","0.1848","","","","","","1.007","","","","has coordinates,has disorder","188271","2020-10-21","18:00:00",""
"7055761","9.4119","0.0004","33.4898","0.0013","10.459","0.0004","90","","97.316","0.001","90","","3269.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cl8 N10 P6 -","- C14 H22 Cl8 N10 P6 -","- C56 H88 Cl32 N40 P24 -","4","1","","Asmafiliz, Nuran; Kılıç, Zeynel; Civan, Mehmet; Avcı, Orhan; Yasemin Gönder (née Koç), L.; Açık, Leyla; Aydın, Betül; Türk, Mustafa; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 36. Syntheses, Langmuir‒Blodgett thin films and biological activities of spiro-bino-spiro trimeric phosphazenes","New J. Chem.","2016","40","11","9609","","10.1039/C6NJ02052F","","","0.71073","MoKα","","0.0783","0.0543","","","0.1293","0.1405","","","","","","1.035","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7055762","12.5574","0.0006","17.0478","0.0008","16.6323","0.0008","90","","108.227","0.002","90","","3381.9","0.3","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Cl8 N10 P6 -","- C16 H26 Cl8 N10 P6 -","- C64 H104 Cl32 N40 P24 -","4","1","","Asmafiliz, Nuran; Kılıç, Zeynel; Civan, Mehmet; Avcı, Orhan; Yasemin Gönder (née Koç), L.; Açık, Leyla; Aydın, Betül; Türk, Mustafa; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 36. Syntheses, Langmuir‒Blodgett thin films and biological activities of spiro-bino-spiro trimeric phosphazenes","New J. Chem.","2016","40","11","9609","","10.1039/C6NJ02052F","","","0.71073","MoKα","","0.0869","0.0551","","","0.105","0.1259","","","","","","1.088","","","","has coordinates","188263","2020-10-21","18:00:00",""
"7055763","38.868","0.002","9.1882","0.0006","16.6047","0.001","90","","104.465","0.003","90","","5742","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H42 N8 O P3 -","- C23 H42 N8 O P3 -","- C184 H336 N64 O8 P24 -","8","1","","Asmafiliz, Nuran; Kılıç, Zeynel; Civan, Mehmet; Avcı, Orhan; Yasemin Gönder (née Koç), L.; Açık, Leyla; Aydın, Betül; Türk, Mustafa; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 36. Syntheses, Langmuir‒Blodgett thin films and biological activities of spiro-bino-spiro trimeric phosphazenes","New J. Chem.","2016","40","11","9609","","10.1039/C6NJ02052F","","","0.71073","MoKα","","0.0999","0.0608","","","0.1683","0.1955","","","","","","1.027","","","","has coordinates","188263","2020-10-21","18:00:00",""
"7055764","13.0886","0.0003","18.8973","0.0005","15.2742","0.0004","90","","90","","90","","3777.91","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","HbimcaIPr2HBr","3,6-Di-tert-butyl-1,8-bis(3-isopropylimidazolium)carbazole dibromide","","- C35 H51 Br2 N5 O -","- C35 H51 Br2 N5 O -","- C140 H204 Br8 N20 O4 -","4","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.0495","0.0334","","","0.0655","0.0699","","","","","","1.027","","","","has coordinates","188258","2020-10-21","18:00:00",""
"7055765","13.3028","0.0015","17.311","0.002","16.0809","0.0018","90","","90","","90","","3703.2","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","H(bimcaAllyl)2HBr","3,6-Di-tert-butyl-1,8-bis(3-(1-allyl)imidazolium)carbazole dibromide","","- C35 H49 Br2 N5 O2 -","- C35 H49 Br2 N5 O2 -","- C140 H196 Br8 N20 O8 -","4","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.0785","0.0466","","","0.1023","0.1155","","","","","","1.035","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055766","20.2134","0.0017","14.5713","0.0012","25.883","0.003","90","","111.234","0.002","90","","7105.9","1.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","H(bimcaC5)2HBr","","","- C33 H42 Br2 N6 -","- C33 H42 Br2 N6 -","- C264 H336 Br16 N48 -","8","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.0725","0.0446","","","0.1107","0.1224","","","","","","1.041","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055767","14.5894","0.0007","25.35","0.0011","10.6923","0.0005","90","","94.759","0.001","90","","3940.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","H(bimcaBn)2HBr","3,6-Di-tert-butyl-1,8-bis(3-benzylimidazolium)carbazole dibromide","","- C41 H45 Br2 Cl2 N5 -","- C41 H45 Br2 Cl2 N5 -","- C164 H180 Br8 Cl8 N20 -","4","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.0518","0.0398","","","0.0992","0.1047","","","","","","1.058","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055768","15.331","0.002","10.6223","0.0014","25.494","0.003","90","","90","","90","","4151.7","0.9","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","HbimcaPh2HBF4","3,6-Di-tert-butyl-1,8-bis(3-phenylimidazolium)carbazole bis(tetrafluoroborate)","","- C38 H39 B2 F8 N5 -","- C38 H39 B2 F8 N5 -","- C152 H156 B8 F32 N20 -","4","0.5","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.1015","0.0636","","","0.1224","0.1379","","","","","","1.078","","","","has coordinates","188258","2020-10-21","18:00:00",""
"7055769","29.213","0.009","13.853","0.004","22.665","0.007","90","","103.529","0.014","90","","8918","5","150","","150","","","","","","","","deprotonation of parent carbazole","6","C 1 2/c 1","-C 2yc","15","Li(bimcaiPr)LiI(DME)","","","- C36 H47 I Li2 N5 O2 -","- C36 H47 I Li2 N5 O2 -","- C288 H376 I8 Li16 N40 O16 -","8","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","x-ray","0.71073","MoKα","","0.1762","0.0662","","","0.1943","0.2578","","","","","","0.9636","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055770","13.948","0.002","11.4011","0.0019","43.494","0.007","90","","90","","90","","6916.5","1.9","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","HbimcaEt2HBF4","3,6-Di-tert-butyl-1,8-bis(3-ethylimidazolium)carbazole bis(tetrafluoroborate)","","- C32 H43 B2 F8 N5 O0.74 -","- C32 H43 B2 F8 N5 O0.743 -","- C256 H344 B16 F64 N40 O5.944 -","8","1","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","","0.71073","MoKα","","0.1001","0.0666","","","0.1577","0.1797","","","","","","1.082","","","","has coordinates,has disorder","188258","2020-10-21","18:00:00",""
"7055771","11.373","0.006","18.404","0.01","23.13","0.012","69.64","0.02","80.26","0.02","76.44","0.02","4392","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 I2 N5 -","- C32 H43 I2 N5 -","- C128 H172 I8 N20 -","4","2","","Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris","Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes","New J. Chem.","2016","40","11","9160","","10.1039/C6NJ01941B","","x-ray","0.71073","MoKα","","0.1517","0.0692","","","0.2023","0.2583","","","","","","0.952","","","","has coordinates,has disorder","213925","2020-10-21","18:00:00",""
"7055772","15.772","0.004","26.504","0.006","17.489","0.004","90","","90.083","0.003","90","","7311","3","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 Br2 N4 Ni O -","- C39 H48 Br2 N4 Ni O -","- C312 H384 Br16 N32 Ni8 O8 -","8","2","","Huang, Chuanbing; Zhang, Youfu; Liang, Tongling; Zhao, Zhijuan; Hu, Xinquan; Sun, Wen-Hua","Rigid geometry 8-arylimino-7,7-dimethyl-5,6-dihydroquinolyl nickel bromides: single-site active species towards ethylene polymerization","New J. Chem.","2016","40","11","9329","","10.1039/C6NJ02464E","","","0.71073","MoKα","","0.0929","0.0746","","","0.111","0.1173","","","","","","1.169","","","","has coordinates,has disorder","188260","2020-10-21","18:00:00",""
"7055773","25.088","0.004","25.088","0.004","13.251","0.003","90","","90","","90","","8340","3","173.15","","173.15","","","","","","","","","5","P 4/n","-P 4a","85","","","","- C40 H48 Br2 N4 Ni -","- C40 H48 Br2 N4 Ni -","- C320 H384 Br16 N32 Ni8 -","8","","","Huang, Chuanbing; Zhang, Youfu; Liang, Tongling; Zhao, Zhijuan; Hu, Xinquan; Sun, Wen-Hua","Rigid geometry 8-arylimino-7,7-dimethyl-5,6-dihydroquinolyl nickel bromides: single-site active species towards ethylene polymerization","New J. Chem.","2016","40","11","9329","","10.1039/C6NJ02464E","","","0.71073","MoKα","","0.0842","0.0757","","","0.1536","0.1576","","","","","","1.213","","","","has coordinates","188260","2020-10-21","18:00:00",""
"7055774","35.144","0.007","10.1699","0.0017","33.644","0.006","90","","148.402","0.008","90","","6300","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 N7 O10 S Zn -","- C27 H27 N7 O10 S Zn -","- C216 H216 N56 O80 S8 Zn8 -","8","1","","Li, Xiang; Dong, Xiongwei; Liu, Yaojing; Meng, Yan; Zhang, Yong; Zhang, Dan; Liu, Changlin","Ultraviolet irradiation-mediated formation of Aβ42 oligomers and reactive oxygen species in Zn2±bound Aβ42 aggregates irrespective of the removal of Zn2+","New J. Chem.","2016","40","11","9385","","10.1039/C6NJ02004F","","","0.71073","MoKα","","0.094","0.0838","","","0.2188","0.2262","","","","","","1.118","","","","has coordinates,has disorder","194616","2020-10-21","18:00:00",""
"7055775","12.8554","0.0006","13.0685","0.0006","13.4125","0.0006","85.321","0.004","83.005","0.004","82.019","0.004","2210.08","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H50 Cl2 O8 -","- C53 H50 Cl2 O8 -","- C106 H100 Cl4 O16 -","2","1","","Boinski, T.; Cieszkowski, A.; Rosa, B.; Leśniewska, B.; Szumna, A.","Calixarenes with naphthalene units: calix[4]naphthalenes and hybrid[4]arenes","New J. Chem.","2016","40","10","8892","","10.1039/C6NJ01736C","","x-ray","1.54184","CuKα","","0.0939","0.0616","","","0.1655","0.1908","","","","","","1.033","","","","has coordinates","187174","2020-10-21","18:00:00",""
"7055776","6.66","0.003","17.17","0.006","10.738","0.003","90","","94.13","0.03","90","","1224.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cu2 N4 O6 -","- C28 H20 Cu2 N4 O6 -","- C56 H40 Cu4 N8 O12 -","2","0.5","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","0.71073","MoKα","","0.043","0.0308","","","0.0696","0.0735","","","","","","1.031","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055777","38.0051","0.0015","12.0227","0.0003","7.3639","0.0018","90","","90","","90","","3364.7","0.8","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C19 H15 Cu N3 O3 -","- C19 H15 Cu N3 O3 -","- C152 H120 Cu8 N24 O24 -","8","1","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","1.5418","CuKα","","0.0346","0.0335","","","0.0963","0.0974","","","","","","1.044","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055778","25.8273","0.0011","21.2967","0.0016","23.5033","0.0015","90","","94.619","0.005","90","","12885.7","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H53.5 Cu4 N8 O21.5 -","- C60.5 H53.5 Cu4 N8 O21.5 -","- C484 H428 Cu32 N64 O172 -","8","2","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","0.71073","MoKα","","0.1545","0.0894","","","0.181","0.2066","","","","","","1.055","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7055779","29.0398","0.0018","25.7429","0.0009","24.4687","0.0015","90","","129.863","0.01","90","","14041","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65.6 H56 Cu4 N8 O19 -","- C65.6 H56 Cu4 N8 O19 -","- C524.8 H448 Cu32 N64 O152 -","8","1","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","0.71073","MoKα","","0.0744","0.0567","","","0.1609","0.1721","","","","","","1.022","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055780","13.7365","0.0009","8.0055","0.0007","16.5631","0.0012","90","","94.824","0.007","90","","1815","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cu N3 O4 -","- C20 H17 Cu N3 O4 -","- C80 H68 Cu4 N12 O16 -","4","1","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","0.71073","MoKα","","0.1348","0.0613","","","0.1009","0.1253","","","","","","0.944","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055781","12.474","0.0004","25.8954","0.0008","8.5646","0.0002","90","","90","","90","","2766.53","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H24 Cu2 N4 O8 -","- C30 H24 Cu2 N4 O8 -","- C120 H96 Cu8 N16 O32 -","4","0.5","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","1.5418","CuKα","","0.0473","0.04","","","0.1122","0.1177","","","","","","1.043","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055782","7.1772","0.0005","26.5801","0.0015","8.2529","0.0006","90","","97.208","0.006","90","","1561.97","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu2 N4 O10 -","- C32 H32 Cu2 N4 O10 -","- C64 H64 Cu4 N8 O20 -","2","0.5","","Vrdoljak, Višnja; Pavlović, Gordana; Maltar-Strmečki, Nadica; Cindrić, Marina","Copper(ii) hydrazone complexes with different nuclearities and geometries: synthetic methods and ligand substituent effects","New J. Chem.","2016","40","11","9263","","10.1039/C6NJ01036A","","","0.71073","MoKα","","0.0367","0.0298","","","0.0709","0.0734","","","","","","1.088","","","","has coordinates","188273","2020-10-21","18:00:00",""
"7055783","15.3005","0.0005","16.0897","0.0006","12.2535","0.0004","90","","93.027","0.001","90","","3012.36","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cl2 N6 Pd -","- C28 H38 Cl2 N6 Pd -","- C112 H152 Cl8 N24 Pd4 -","4","1","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.0312","0.0267","","","0.0706","0.0761","","","","","","0.96","","","","has coordinates","188255","2020-10-21","18:00:00",""
"7055784","15.464","0.011","16.201","0.012","12.484","0.009","90","","92.812","0.013","90","","3124","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl2 N6 Pd -","- C28 H40 Cl2 N6 Pd -","- C112 H160 Cl8 N24 Pd4 -","4","1","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.0446","0.035","","","0.1107","0.1316","","","","","","1.06","","","","has coordinates","188255","2020-10-21","18:00:00",""
"7055785","14.712","0.004","15.207","0.004","20.231","0.005","68.845","0.004","72.185","0.004","63.367","0.003","3716.4","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C137 H170 Cl10 N24 Pd4 -","- C137 H170 Cl10 N24 Pd4 -","- C137 H170 Cl10 N24 Pd4 -","1","0.5","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.0424","0.0317","","","0.0803","0.0886","","","","","","1.044","","","","has coordinates","188255","2020-10-21","18:00:00",""
"7055786","12.022","0.009","20.9","0.016","16.374","0.012","90","","103.443","0.011","90","","4001","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Cl4 N6 Pd -","- C35 H46 Cl4 N6 Pd -","- C140 H184 Cl16 N24 Pd4 -","4","1","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.2582","0.0571","","","0.1631","0.2103","","","","","","1.052","","","","has coordinates","188255","2020-10-21","18:00:00",""
"7055787","12.632","0.016","15.5","0.02","19.61","0.03","79.27","0.02","85.87","0.02","81.4","0.02","3726","9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H77 Cl3 N8 Pd2 -","- C61 H77 Cl3 N8 Pd2 -","- C122 H154 Cl6 N16 Pd4 -","2","1","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.1633","0.0734","","","0.1225","0.1359","","","","","","1.021","","","","has coordinates,has disorder","188255","2020-10-21","18:00:00",""
"7055788","12.7041","0.0018","15.216","0.002","19.059","0.003","80.336","0.002","84.728","0.002","81.324","0.002","3582","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C125 H168 Cl12 N16 Pd4 -","- C125 H168 Cl12 N16 Pd4 -","- C125 H168 Cl12 N16 Pd4 -","1","0.5","","Yang, Jin","Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling","New J. Chem.","2016","40","11","9739","","10.1039/C6NJ02320G","","","0.71073","MoKα","","0.0469","0.0365","","","0.096","0.1062","","","","","","1.036","","","","has coordinates,has disorder","188255","2020-10-21","18:00:00",""
"7055789","9.025","0.004","9.025","0.004","10.2","0.004","90","","90","","90","","830.8","0.6","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Dîrtu, Marinela M.; Adarsh, N. N.; Naik, Anil D.; Robeyns, Koen; Garcia, Yann","Supramolecular homochiral helicity and zigzag hydrogen bonded chains in 1,2,4-triazole derived aminoester and aminoacid","New J. Chem.","2016","40","11","9025","","10.1039/C6NJ01687A","","","0.71069","MoKα","","0.0357","0.0317","","","0.082","0.0854","","","","","","1.096","","","","has coordinates,has disorder","188257","2020-10-21","18:00:00",""
"7055790","9.7498","0.0005","10.711","0.0004","12.7361","0.0006","90","","90","","90","","1330.03","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N3 O2 -","- C5 H7 N3 O2 -","- C40 H56 N24 O16 -","8","2","","Dîrtu, Marinela M.; Adarsh, N. N.; Naik, Anil D.; Robeyns, Koen; Garcia, Yann","Supramolecular homochiral helicity and zigzag hydrogen bonded chains in 1,2,4-triazole derived aminoester and aminoacid","New J. Chem.","2016","40","11","9025","","10.1039/C6NJ01687A","","","0.71073","MoKα","","0.0529","0.0438","","","0.0981","0.1038","","","","","","1.089","","","","has coordinates,has disorder","188257","2020-10-21","18:00:00",""
"7055795","6.4177","0.0002","12.5899","0.0005","16.6644","0.0007","90","","90","","90","","1346.45","0.09","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O S4 -","- C12 H9 N O S4 -","- C48 H36 N4 O4 S16 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.0226","0.0214","","","0.0521","0.0527","","","","","","1.061","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055796","6.3994","0.0014","12.57","0.003","16.622","0.004","90","","90","","90","","1337.1","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O S4 -","- C12 H9 N O S4 -","- C48 H36 N4 O4 S16 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.032","0.0302","","","0.0714","0.0726","","","","","","1.045","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055797","8.4457","0.0006","15.309","0.0012","23.682","0.002","90","","90","","90","","3062","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 S14 -","- C22 H18 N2 S14 -","- C88 H72 N8 S56 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.0581","0.0454","","","0.0892","0.0944","","","","","","1.077","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055798","8.4463","0.0002","15.31","0.0004","23.6692","0.0007","90","","90","","90","","3060.73","0.14","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 S14 -","- C22 H18 N2 S14 -","- C88 H72 N8 S56 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.0358","0.0302","","","0.0631","0.0651","","","","","","1.025","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055799","7.5555","0.0002","9.9153","0.0003","11.7151","0.0003","102.312","0.002","108.492","0.003","102.9","0.003","772.07","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cu2 N6 O12 -","- C26 H26 Cu2 N6 O12 -","- C26 H26 Cu2 N6 O12 -","1","0.5","","Martins, Nuno M. R.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Copper(ii) and iron(iii) complexes with arylhydrazone of ethyl 2-cyanoacetate or formazan ligands as catalysts for oxidation of alcohols","New J. Chem.","2016","40","12","10071","","10.1039/C6NJ02161A","","","0.71073","MoKα","","0.0453","0.0349","","","0.0883","0.0936","","","","","","1.122","","","","has coordinates","190231","2020-10-21","18:00:00",""
"7055800","8.3116","0.0005","10.4327","0.0008","10.7676","0.0008","105.623","0.004","92.203","0.004","109.315","0.003","840.18","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cu N4 O6 -","- C15 H16 Cu N4 O6 -","- C30 H32 Cu2 N8 O12 -","2","1","","Martins, Nuno M. R.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Copper(ii) and iron(iii) complexes with arylhydrazone of ethyl 2-cyanoacetate or formazan ligands as catalysts for oxidation of alcohols","New J. Chem.","2016","40","12","10071","","10.1039/C6NJ02161A","","","0.71073","MoKα","","0.0831","0.0494","","","0.1026","0.1194","","","","","","1.148","","","","has coordinates","190231","2020-10-21","18:00:00",""
"7055801","30.61","0.003","6.93","0.0006","23.4642","0.0019","90","","103.391","0.003","90","","4842.1","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H31 Cu N7 O7 -","- C17 H31 Cu N7 O7 -","- C136 H248 Cu8 N56 O56 -","8","1","","Martins, Nuno M. R.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Copper(ii) and iron(iii) complexes with arylhydrazone of ethyl 2-cyanoacetate or formazan ligands as catalysts for oxidation of alcohols","New J. Chem.","2016","40","12","10071","","10.1039/C6NJ02161A","","","0.71069","MoKα","","0.0643","0.0412","","","0.0866","0.0931","","","","","","0.996","","","","has coordinates","190231","2020-10-21","18:00:00",""
"7055802","13.9488","0.0013","9.8504","0.001","15.1432","0.0015","90","","112.754","0.003","90","","1918.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 Fe N22 -","- C12 H7 Fe N22 -","- C48 H28 Fe4 N88 -","4","1","","Martins, Nuno M. R.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Copper(ii) and iron(iii) complexes with arylhydrazone of ethyl 2-cyanoacetate or formazan ligands as catalysts for oxidation of alcohols","New J. Chem.","2016","40","12","10071","","10.1039/C6NJ02161A","","","0.71069","MoKα","","0.1112","0.0592","","","0.1359","0.1555","","","","","","1.011","","","","has coordinates","190231","2020-10-21","18:00:00",""
"7055807","20.506","0.003","12.2936","0.0017","16.937","0.002","90","","105.973","0.004","90","","4104.8","1","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","copper(I) thiocyanate complex of tris(2pyridyl)phosphine oxide","","- C17 H14 Cl2 Cu N4 O P S -","- C17 H14 Cl2 Cu N4 O P S -","- C136 H112 Cl16 Cu8 N32 O8 P8 S8 -","8","1","","Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A.","Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers","New J. Chem.","2016","40","12","10028","","10.1039/C6NJ02087A","","","0.71073","MoKα","","0.064","0.0408","","","0.1003","0.1143","","","","","","1.023","","","","has coordinates","190238","2020-10-21","18:00:00",""
"7055808","8.3784","0.0008","9.0242","0.0008","13.1937","0.0011","71.147","0.003","78.454","0.003","65.128","0.003","854.08","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","copper(I) thiocyanate complex of tris(2pyridyl)phosphine oxide","","- C32 H24 Cu2 N8 O2 P2 S2 -","- C32 H24 Cu2 N8 O2 P2 S2 -","- C32 H24 Cu2 N8 O2 P2 S2 -","1","0.5","","Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A.","Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers","New J. Chem.","2016","40","12","10028","","10.1039/C6NJ02087A","","","0.71073","MoKα","","0.1003","0.0921","","","0.3304","0.334","","","","","","1.21","","","","has coordinates","190238","2020-10-21","18:00:00",""
"7055809","25.1513","0.0011","8.2531","0.0004","33.3853","0.0015","90","","109.333","0.001","90","","6539.2","0.5","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","copper(I) thiocyanate complex of tris(2pyridyl)phosphine oxide","","- C64 H48 Cu4 N16 O4 P4 S4 -","- C64 H48 Cu4 N16 O4 P4 S4 -","- C256 H192 Cu16 N64 O16 P16 S16 -","4","1","","Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A.","Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers","New J. Chem.","2016","40","12","10028","","10.1039/C6NJ02087A","","","0.71073","MoKα","","0.0548","0.0375","","","0.0751","0.0806","","","","","","1.061","","","","has coordinates","190238","2020-10-21","18:00:00",""
"7055810","11.9247","0.0006","10.7519","0.0004","18.7122","0.0007","90","","97.86","0.002","90","","2376.61","0.17","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Complex of copper(II) thiocyanate with tris(2-pyridyl)phosphine oxide","","- C18 H13 Cl3 Cu N5 O P S2 -","- C18 H13 Cl3 Cu N5 O P S2 -","- C72 H52 Cl12 Cu4 N20 O4 P4 S8 -","4","1","","Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A.","Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers","New J. Chem.","2016","40","12","10028","","10.1039/C6NJ02087A","","","0.71073","MoKα","","0.0583","0.0505","","","0.1383","0.1474","","","","","","1.058","","","","has coordinates","190238","2020-10-21","18:00:00",""
"7055811","11.8672","0.0007","12.4871","0.0007","18.232","0.0011","84.626","0.002","89.461","0.002","62.746","0.002","2389.5","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","Solvate complex of copper(I) thiocyanate with tris(2-pyridyl)phosphine oxide with chloroform","","- C34 H25 Cl3 Cu3 N9 O2 P2 S3 -","- C34 H25 Cl3 Cu3 N9 O2 P2 S3 -","- C68 H50 Cl6 Cu6 N18 O4 P4 S6 -","2","1","","Artem’ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Marianna I.; Sutyrina, Anastasiya O.; Bagryanskaya, Irina Yu.; Tolstoy, Peter M.; Gushchin, Artem L.; Mazur, Anton S.; Gusarova, Nina K.; Trofimov, Boris A.","Luminescent CuI thiocyanate complexes based on tris(2-pyridyl)phosphine and its oxide: from mono-, di- and trinuclear species to coordination polymers","New J. Chem.","2016","40","12","10028","","10.1039/C6NJ02087A","","","0.71073","MoKα","","0.0515","0.0389","","","0.0933","0.1053","","","","","","1.032","","","","has coordinates","190238","2020-10-21","18:00:00",""
"7055812","12.9246","0.0018","10.0302","0.0015","8.6402","0.0012","90","","106.913","0.003","90","","1071.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N8 O20 -","- C12 H6 N8 O20 -","- C24 H12 N16 O40 -","2","0.5","","Xu, Zhen; Yang, Hongwei; Cheng, Guangbin","Studies on the synthesis and properties of polynitro compounds based on esteryl backbones","New J. Chem.","2016","40","12","9936","","10.1039/C6NJ02198K","","","0.71073","MoKα","","0.0619","0.0426","","","0.0872","0.0955","","","","","","1.043","","","","has coordinates","190232","2020-10-21","18:00:00",""
"7055813","14.3744","0.0016","8.2651","0.001","19.305","0.002","90","","111.692","0.003","90","","2131.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N8 O20 -","- C12 H6 N8 O20 -","- C48 H24 N32 O80 -","4","1","","Xu, Zhen; Yang, Hongwei; Cheng, Guangbin","Studies on the synthesis and properties of polynitro compounds based on esteryl backbones","New J. Chem.","2016","40","12","9936","","10.1039/C6NJ02198K","","","0.71073","MoKα","","0.0799","0.038","","","0.0657","0.0759","","","","","","1.027","","","","has coordinates,has disorder","190232","2020-10-21","18:00:00",""
"7055814","13.8583","0.001","16.6279","0.0013","10.0771","0.0006","90","","103.879","0.002","90","","2254.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H5 N9 O22 -","- C12 H5 N9 O22 -","- C48 H20 N36 O88 -","4","1","","Xu, Zhen; Yang, Hongwei; Cheng, Guangbin","Studies on the synthesis and properties of polynitro compounds based on esteryl backbones","New J. Chem.","2016","40","12","9936","","10.1039/C6NJ02198K","","","0.71073","MoKα","","0.0816","0.0398","","","0.0724","0.0847","","","","","","1.041","","","","has coordinates","190232","2020-10-21","18:00:00",""
"7055815","5.8335","0.0004","10.1818","0.0008","25.563","0.002","90","","96.54","0.003","90","","1508.4","0.2","172","2","172","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 N6 O14 -","- C9 H4 N6 O14 -","- C36 H16 N24 O56 -","4","1","","Xu, Zhen; Yang, Hongwei; Cheng, Guangbin","Studies on the synthesis and properties of polynitro compounds based on esteryl backbones","New J. Chem.","2016","40","12","9936","","10.1039/C6NJ02198K","","","0.71073","MoKα","","0.068","0.0362","","","0.0752","0.0866","","","","","","1.026","","","","has coordinates","190232","2020-10-21","18:00:00",""
"7055816","13.0771","0.0007","14.1413","0.0007","22.4997","0.0009","94.2851","0.0011","103.247","0.001","102.563","0.0012","3919","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H77 N11 O51 Pb2 Si W12 -","- C33 H77 N11 O51 Pb2 Si W12 -","- C66 H154 N22 O102 Pb4 Si2 W24 -","2","1","","Udalova, Liubov I.; Adonin, Sergey A.; Abramov, Pavel A.; Korolkov, Ilya V.; Yunoshev, Alexander S.; Plyusnin, Pavel E.; Sokolov, Maxim N.","Complexes of non-lacunary Keggin- and Dawson-type polyoxometalates with Pb(ii): formation of 1D coordination polymers with different bonding modes","New J. Chem.","2016","40","12","9981","","10.1039/C6NJ02155G","","x-ray","0.71073","MoKα","","0.0684","0.043","","","0.0777","0.0861","","","","","","0.994","","","","has coordinates","190240","2020-10-21","18:00:00",""
"7055817","27.4927","0.0006","17.8801","0.0006","25.0895","0.0006","90","","90","","90","","12333.3","0.6","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C43.5 H104.1 N14.5 O77.8 P2 Pb3 W18 -","- C43.5 H72.5 N14.5 O77.8 P2 Pb3 W18 -","- C174 H290 N58 O311.2 P8 Pb12 W72 -","4","0.5","","Udalova, Liubov I.; Adonin, Sergey A.; Abramov, Pavel A.; Korolkov, Ilya V.; Yunoshev, Alexander S.; Plyusnin, Pavel E.; Sokolov, Maxim N.","Complexes of non-lacunary Keggin- and Dawson-type polyoxometalates with Pb(ii): formation of 1D coordination polymers with different bonding modes","New J. Chem.","2016","40","12","9981","","10.1039/C6NJ02155G","","x-ray","0.71073","MoKα","","0.068","0.0475","","","0.0999","0.1102","","","","","","1.102","","","","has coordinates,has disorder","190240","2020-10-21","18:00:00",""
"7055818","11.4597","0.0002","29.072","0.0005","16.6209","0.0003","90","","93.7884","0.0007","90","","5525.26","0.17","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,3-bis(5-methyl-2-phenylthiazol-4-yl)-1-phenylphosphindole 1-oxide","","- C34 H25 N2 O P S2 -","- C34 H25 N2 O P S2 -","- C272 H200 N16 O8 P8 S16 -","8","2","","Iijima, Shunsuke; Nakashima, Takuya; Kawai, Tsuyoshi","Stereoselective photoreaction in P-stereogenic dithiazolylbenzo[b]phosphole chalcogenides","New J. Chem.","2016","40","12","10048","","10.1039/C6NJ02446G","","","0.71075","MoKα","","0.0528","0.0395","","","0.0942","0.0997","","","","","","1.047","","","","has coordinates","190241","2020-10-21","18:00:00",""
"7055819","10.0101","0.0002","11.0471","0.0002","14.5019","0.0003","86.1262","0.0007","83.4645","0.0007","81.545","0.0007","1573.81","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","2,3-bis(5-methyl-2-phenylthiazol-4-yl)-1-phenylphosphindole 1-sulfide","","- C36 H28 N3 P S3 -","- C36 H28 N3 P S3 -","- C72 H56 N6 P2 S6 -","2","1","","Iijima, Shunsuke; Nakashima, Takuya; Kawai, Tsuyoshi","Stereoselective photoreaction in P-stereogenic dithiazolylbenzo[b]phosphole chalcogenides","New J. Chem.","2016","40","12","10048","","10.1039/C6NJ02446G","","","0.71075","MoKα","","0.0456","0.0374","","","0.0959","0.1026","","","","","","1.09","","","","has coordinates","190241","2020-10-21","18:00:00",""
"7055820","7.6364","0.0004","11.093","0.0006","12.7629","0.0006","95.949","0.003","91","0.003","99.504","0.003","1059.91","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DDJS-43","","","- C20 H16 Cl2 Cu N4 O -","- C20 H16 Cl2 Cu N4 O -","- C40 H32 Cl4 Cu2 N8 O2 -","2","1","","Adhikari, Sangita; Lohar, Sisir; Kumari, Babli; Banerjee, Aparna; Bandopadhyay, Rajib; Matalobos, Jesús Sanmartín; Das, Debasis","Cu(ii) complex of a new isoindole derivative: structure, catecholase like activity, antimicrobial properties and bio-molecular interactions","New J. Chem.","2016","40","12","10094","","10.1039/C6NJ02193J","","x-ray","0.71073","MoKα","","0.0465","0.0393","","","0.0969","0.0997","","","","","","1.06","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7055821","11.4372","0.0006","19.3","0.001","20.3261","0.0011","90","","90","","90","","4486.7","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Bi Br5 N4 O -","- C15 H16 Bi Br5 N4 O -","- C120 H128 Bi8 Br40 N32 O8 -","8","1","","Kotov, Vitalii Yu.; Ilyukhin, Andrey B.; Birin, Kirill P.; Laurinavichyute, Veronika K.; Sadovnikov, Alexey A.; Dobrokhotova, Zhanna V.; Kozyukhin, Sergey A.","A hybrid halobismuthate light-harvesting material with an optical band gap of 1.70 eV","New J. Chem.","2016","40","12","10041","","10.1039/C6NJ02333A","","","0.71073","MoKα","","0.0635","0.0371","","","0.0803","0.0895","","","","","","1.044","","","","has coordinates","190234","2020-10-21","18:00:00",""
"7055822","12.754","0.005","12.754","0.005","13.787","0.006","90","","90","","90","","2242.7","1.6","293","2","293","2","","","","","","","","3","P 4/n","-P 4a","85","","p-t-butylcalix[4]arene","","- C51 H64 O4 -","- C51 H64 O4 -","- C102 H128 O8 -","2","","","Senthan, Selvam Amudhan; Alexander, Vedamanickam","Synthesis, luminescence, and electrochemical studies of tetra- and octanuclear ruthenium(ii) complexes of tolylterpyridine appended calixarenes","New J. Chem.","2016","40","12","10064","","10.1039/C6NJ02564A","","","0.71073","MoKα","","0.0755","0.05","","","0.1381","0.1722","","","","","","1.103","","","","has coordinates,has disorder","190242","2020-10-21","18:00:00",""
"7055823","7.817","0.00019","13.0929","0.0004","30.6293","0.0009","90","","90","","90","","3134.82","0.15","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H30 I2 N6 O6 Zn -","- C28 H30 I2 N6 O6 Zn -","- C112 H120 I8 N24 O24 Zn4 -","4","0.5","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Jena, Himanshu Sekhar; Nematollahi, Parisa; Esrafili, Mehdi D.; Garczarek, Piotr; Van Hecke, Kristof; Servati Gargari, Masoumeh; Kirillov, Alexander M.","Halide ion-driven self-assembly of Zn(ii) compounds derived from an asymmetrical hydrazone building block: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10116","","10.1039/C6NJ01534D","","","1.5418","CuKα","","0.0533","0.0382","","","0.0909","0.1007","","","","","","1.024","","","","has coordinates","190229","2020-10-21","18:00:00",""
"7055824","7.67182","0.00017","12.9965","0.0003","30.545","0.0008","90","","90","","90","","3045.54","0.13","122","30","122","30","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H30 Br2 N6 O6 Zn -","- C28 H30 Br2 N6 O6 Zn -","- C112 H120 Br8 N24 O24 Zn4 -","4","0.5","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Jena, Himanshu Sekhar; Nematollahi, Parisa; Esrafili, Mehdi D.; Garczarek, Piotr; Van Hecke, Kristof; Servati Gargari, Masoumeh; Kirillov, Alexander M.","Halide ion-driven self-assembly of Zn(ii) compounds derived from an asymmetrical hydrazone building block: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10116","","10.1039/C6NJ01534D","","","1.5418","CuKα","","0.0423","0.0294","","","0.0667","0.0726","","","","","","1.026","","","","has coordinates","190229","2020-10-21","18:00:00",""
"7055825","22.0619","0.0006","22.0619","0.0006","7.3434","0.0004","90","","90","","90","","3574.2","0.2","293","2","293.15","","","","","","","","","6","I 4/m","-I 4","87","","","","- C56 H60 Cl8 N12 O12 Zn4 -","- C52 H44 Cl8 N12 O8 Zn4 -","- C104 H88 Cl16 N24 O16 Zn8 -","2","0.125","","Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Jena, Himanshu Sekhar; Nematollahi, Parisa; Esrafili, Mehdi D.; Garczarek, Piotr; Van Hecke, Kristof; Servati Gargari, Masoumeh; Kirillov, Alexander M.","Halide ion-driven self-assembly of Zn(ii) compounds derived from an asymmetrical hydrazone building block: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10116","","10.1039/C6NJ01534D","","","1.5418","CuKα","","0.0397","0.0321","","","0.0848","0.0884","","","","","","1.074","","","","has coordinates","190229","2020-10-21","18:00:00",""
"7055826","21.5463","0.0013","8.3435","0.0005","25.3092","0.0015","90","","107.29","0.002","90","","4344.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N4 O3 V -","- C26 H18 N4 O3 V -","- C208 H144 N32 O24 V8 -","8","1","","Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Weyhermüller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate, 4,4′-di-tert-butyl-2,2′-bipyridine and 1,10-phenanthroline anion radicals to oxidovanadium(iv)","New J. Chem.","2016","40","12","10305","","10.1039/C6NJ02220K","","","0.71073","MoKα","","0.1071","0.0857","","","0.1745","0.1845","","","","","","1.242","","","","has coordinates","190237","2020-10-21","18:00:00",""
"7055827","13.8584","0.0005","16.1145","0.0006","22.9607","0.0009","90","","90","","90","","5127.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 N5 O5 V -","- C25 H18 N5 O5 V -","- C200 H144 N40 O40 V8 -","8","2","","Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Weyhermüller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate, 4,4′-di-tert-butyl-2,2′-bipyridine and 1,10-phenanthroline anion radicals to oxidovanadium(iv)","New J. Chem.","2016","40","12","10305","","10.1039/C6NJ02220K","","","0.71073","MoKα","","0.0594","0.0403","","","0.0859","0.0954","","","","","","1.037","","","","has coordinates,has disorder","190237","2020-10-21","18:00:00",""
"7055828","11.1788","0.0005","18.332","0.0009","17.6872","0.0008","90","","107.635","0.002","90","","3454.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N2 O5 V -","- C32 H33 N2 O5 V -","- C128 H132 N8 O20 V4 -","4","1","","Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Weyhermüller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate, 4,4′-di-tert-butyl-2,2′-bipyridine and 1,10-phenanthroline anion radicals to oxidovanadium(iv)","New J. Chem.","2016","40","12","10305","","10.1039/C6NJ02220K","","","0.71073","MoKα","","0.0825","0.0637","","","0.1727","0.1984","","","","","","1.033","","","","has coordinates,has disorder","190237","2020-10-21","18:00:00",""
"7055829","11.9632","0.0004","12.8382","0.0004","18.2364","0.0006","90","","108.636","0.002","90","","2654","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Cl N3 O2 Ru -","- C27 H28 Cl N3 O2 Ru -","- C108 H112 Cl4 N12 O8 Ru4 -","4","1","","Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Liu, Yu","Synthesis and molecular structure of arene ruthenium(ii) benzhydrazone complexes: impact of substitution at the chelating ligand and arene moiety on antiproliferative activity","New J. Chem.","2016","40","11","9813","","10.1039/C6NJ01936F","","","0.71073","MoKα","","0.1388","0.0577","","","0.1505","0.1839","","","","","","1.023","","","","has coordinates","188267","2020-10-21","18:00:00",""
"7055830","7.7924","0.0004","10.7114","0.0004","26.6417","0.0012","90","","91.178","0.002","90","","2223.25","0.17","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cl N3 O3 Ru -","- C23 H22 Cl N3 O3 Ru -","- C92 H88 Cl4 N12 O12 Ru4 -","4","1","","Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Liu, Yu","Synthesis and molecular structure of arene ruthenium(ii) benzhydrazone complexes: impact of substitution at the chelating ligand and arene moiety on antiproliferative activity","New J. Chem.","2016","40","11","9813","","10.1039/C6NJ01936F","","","0.71073","MoKα","","0.072","0.0495","","","0.1164","0.1285","","","","","","1.043","","","","has coordinates","188267","2020-10-21","18:00:00",""
"7055831","8.465","0.003","3.8075","0.001","13.823","0.004","90","","90","","90","","445.5","0.2","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","EuZrS3","","","- Eu S3 Zr -","- Eu S3 Zr -","- Eu4 S12 Zr4 -","4","0.5","","Guo, Sheng-Ping; Chi, Yang; Zou, Jian-Ping; Xue, Huai-Guo","Crystal and electronic structures, and photoluminescence and photocatalytic properties of α-EuZrS3","New J. Chem.","2016","40","12","10219","","10.1039/C6NJ02106A","","","0.71073","MoKα","","0.0184","0.0147","","","0.027","0.028","","","","","","1.022","","","","has coordinates","190250","2020-10-21","18:00:00",""
"7055832","12.478","0.002","14.351","0.002","21.722","0.003","90","","90","","90","","3889.8","1","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","Zr(L)(NMe2)2(NHMe2)","","- C42 H59 N5 Zr -","- C42 H59 N5 Zr -","- C168 H236 N20 Zr4 -","4","1","","Cimino, Alessandro; Moscatelli, Filippo; Ferretti, Francesco; Ragaini, Fabio; Germain, Stéphane; Hannedouche, Jérôme; Schulz, Emmanuelle; Luconi, Lapo; Rossin, Andrea; Giambastiani, Giuliano","Novel yttrium and zirconium catalysts featuring reduced Ar-BIANH2 ligands for olefin hydroamination (Ar-BIANH2 = bis-arylaminoacenaphthylene)","New J. Chem.","2016","40","12","10285","","10.1039/C6NJ02199A","","x-ray","1.5418","CuKα","","0.06","0.044","","","0.09","0.1191","","","","","","1.113","","","","has coordinates","190248","2020-10-21","18:00:00",""
"7055833","11.6748","0.0003","10.2522","0.0003","16.7835","0.0005","90","","103.528","0.001","90","","1953.12","0.1","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 N6 -","- C22 H16 Cl2 N6 -","- C88 H64 Cl8 N24 -","4","1","","Gampe, D. M.; Schramm, S.; Kaufmann, M.; Görls, H.; Beckert, R.","N-Phenylfluorubine: one functional dye ‒ chromophor, fluorophor, electron-acceptor and more","New J. Chem.","2016","40","12","10100","","10.1039/C6NJ02544G","","","0.71073","MoKα","","0.0575","0.0448","","","0.0988","0.1055","","","","","","1.117","","","","has coordinates","190246","2020-10-21","18:00:00",""
"7055834","6.9338","0.0004","13.1529","0.0007","13.712","0.001","64.451","0.005","83.6","0.006","79.575","0.006","1108.84","0.13","298","2","298","2","","","","","","","","3","P -1","-P 1","2","AA132","","","- C30 H18 Br2 -","- C30 H18 Br2 -","- C60 H36 Br4 -","2","1","","Alameddine, Bassam; Anju, Rajamohanan Sobhana; Al-Sagheer, Fakhreia; Jenny, Titus A.","Tribenzopentaphene derivatives with lateral aromatic groups: the effect of the nature and position of substituents on emission properties","New J. Chem.","2016","40","12","10363","","10.1039/C6NJ02563C","","","0.71073","MoKα","","0.0475","0.0345","","","0.0933","0.1024","","","","","","0.946","","","","has coordinates","190230","2020-10-21","18:00:00",""
"7055837","14.5946","0.0003","12.2931","0.0002","14.917","0.0003","90","","90","","90","","2676.3","0.09","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-hydroxodichlorodipyridinenitrosylruthenium","","- C10 H11 Cl2 N3 O2 Ru -","- C10 H11 Cl2 N3 O2 Ru -","- C80 H88 Cl16 N24 O16 Ru8 -","8","1","","Makhinya, Alexander N.; Il’in, Maxim A.; Yamaletdinov, Ruslan D.; Korolkov, Ilya V.; Baidina, Iraida A.","Synthesis and crystal structure of nitrosoruthenium complexes cis-[Ru(NO)Py2Cl2(OH)] and cis-[Ru(NO)Py2Cl2(H2O)]Cl. Photoinduced transformations of cis-[Ru(NO)Py2Cl2(OH)]","New J. Chem.","2016","40","12","10267","","10.1039/C6NJ02425D","","","0.71073","MoKα","","0.0345","0.0221","","","0.0508","0.0537","","","","","","1.067","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7055838","12.4068","0.0003","14.0336","0.0003","16.9426","0.0004","90","","90","","90","","2949.91","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","chloride dichloroaquadipyridinenitrosylruthenium","","- C10 H12 Cl3 N3 O2 Ru -","- C10 H12 Cl3 N3 O2 Ru -","- C80 H96 Cl24 N24 O16 Ru8 -","8","1","","Makhinya, Alexander N.; Il’in, Maxim A.; Yamaletdinov, Ruslan D.; Korolkov, Ilya V.; Baidina, Iraida A.","Synthesis and crystal structure of nitrosoruthenium complexes cis-[Ru(NO)Py2Cl2(OH)] and cis-[Ru(NO)Py2Cl2(H2O)]Cl. Photoinduced transformations of cis-[Ru(NO)Py2Cl2(OH)]","New J. Chem.","2016","40","12","10267","","10.1039/C6NJ02425D","","","0.71073","MoKα","","0.0319","0.0234","","","0.0838","0.0941","","","","","","0.732","","","","has coordinates","190243","2020-10-21","18:00:00",""
"7055839","15.3824","0.0004","6.9222","0.0002","14.4655","0.0003","90","","117.818","0.001","90","","1362.28","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-hydroxodichlorodipyridinenitrosylruthenium","","- C10 H11 Cl2 N3 O2 Ru -","- C10 H11 Cl2 N3 O2 Ru -","- C40 H44 Cl8 N12 O8 Ru4 -","4","1","","Makhinya, Alexander N.; Il’in, Maxim A.; Yamaletdinov, Ruslan D.; Korolkov, Ilya V.; Baidina, Iraida A.","Synthesis and crystal structure of nitrosoruthenium complexes cis-[Ru(NO)Py2Cl2(OH)] and cis-[Ru(NO)Py2Cl2(H2O)]Cl. Photoinduced transformations of cis-[Ru(NO)Py2Cl2(OH)]","New J. Chem.","2016","40","12","10267","","10.1039/C6NJ02425D","","","0.71073","MoKα","","0.0614","0.0313","","","0.0616","0.0673","","","","","","0.964","","","","has coordinates","190243","2020-10-21","18:00:00",""
"7055840","11.6485","0.0009","13.9161","0.001","11.8748","0.0008","90","","113.074","0.002","90","","1770.9","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H30 Mo6 N3 Na2 O34.5 Te -","- C6 H15 Mo6 N3 Na2 O34.5 Te -","- C12 H30 Mo12 N6 Na4 O69 Te2 -","2","1","","Hou, Yujiao; An, Haiyan; Xu, Tieqi; Zhao, Sangen; Luo, Junhua","Chiral polyoxomolybdate-based hybrid compounds obtained by spontaneous resolution: syntheses, structures and non-linear optical properties","New J. Chem.","2016","40","12","10316","","10.1039/C6NJ02709A","","","0.71073","MoKα","","0.0203","0.0198","","","0.0526","0.0532","","","","","","1.026","","","","has coordinates","190245","2020-10-21","18:00:00",""
"7055841","11.6541","0.0002","13.9037","0.0003","11.8748","0.0003","90","","113.161","0.001","90","","1769.06","0.07","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H30 Mo6 N3 Na2 O34.5 Te -","- C6 H15 Mo6 N3 Na2 O34.5 Te -","- C12 H30 Mo12 N6 Na4 O69 Te2 -","2","1","","Hou, Yujiao; An, Haiyan; Xu, Tieqi; Zhao, Sangen; Luo, Junhua","Chiral polyoxomolybdate-based hybrid compounds obtained by spontaneous resolution: syntheses, structures and non-linear optical properties","New J. Chem.","2016","40","12","10316","","10.1039/C6NJ02709A","","","0.71073","MoKα","","0.0246","0.024","","","0.0635","0.0642","","","","","","1.028","","","","has coordinates","190245","2020-10-21","18:00:00",""
"7055842","11.6276","0.0005","13.9826","0.0007","11.8503","0.0007","90","","113.215","0.002","90","","1770.67","0.16","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C6 H30 Mo6 N3 Na2 O34.5 Se -","- C6 H15 Mo6 N3 Na2 O34.5 Se -","- C12 H30 Mo12 N6 Na4 O69 Se2 -","2","1","","Hou, Yujiao; An, Haiyan; Xu, Tieqi; Zhao, Sangen; Luo, Junhua","Chiral polyoxomolybdate-based hybrid compounds obtained by spontaneous resolution: syntheses, structures and non-linear optical properties","New J. Chem.","2016","40","12","10316","","10.1039/C6NJ02709A","","","0.71073","MoKα","","0.0279","0.0275","","","0.0718","0.0722","","","","","","1.076","","","","has coordinates","190245","2020-10-21","18:00:00",""
"7055843","13.5784","0.0013","13.6097","0.001","19.0544","0.001","71.442","0.01","75.023","0.009","83.412","0.012","3222.7","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H104 Eu2 N12 Si4 -","- C46 H104 Eu2 N12 Si4 -","- C92 H208 Eu4 N24 Si8 -","2","1","","Liu, Qianqian; Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and molecular structures of divalent bridged bis(guanidinate) europium complexes and their application in intermolecular hydrophosphination of alkenes and alkynes","New J. Chem.","2016","40","12","10447","","10.1039/C6NJ02508K","","","0.71075","MoKα","","0.1289","0.0851","","","0.1607","0.1836","","","","","","1.133","","","","has coordinates,has disorder","190236","2020-10-21","18:00:00",""
"7055844","12.834","0.004","14.323","0.004","19.638","0.007","90","","107.298","0.006","90","","3446.6","1.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H104 Eu2 N12 O4 -","- C64 H104 Eu2 N12 O4 -","- C128 H208 Eu4 N24 O8 -","2","0.5","","Liu, Qianqian; Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and molecular structures of divalent bridged bis(guanidinate) europium complexes and their application in intermolecular hydrophosphination of alkenes and alkynes","New J. Chem.","2016","40","12","10447","","10.1039/C6NJ02508K","","","0.71075","MoKα","","0.0648","0.0471","","","0.1115","0.1233","","","","","","1.083","","","","has coordinates,has disorder","190236","2020-10-21","18:00:00",""
"7055845","14.6965","0.0005","13.2218","0.0004","23.7134","0.0008","90","","92.135","0.003","90","","4604.7","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H76 Cl Eu N6 O3 Si2 -","- C35 H76 Cl Eu N6 O3 Si2 -","- C140 H304 Cl4 Eu4 N24 O12 Si8 -","4","1","","Liu, Qianqian; Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and molecular structures of divalent bridged bis(guanidinate) europium complexes and their application in intermolecular hydrophosphination of alkenes and alkynes","New J. Chem.","2016","40","12","10447","","10.1039/C6NJ02508K","","","0.71073","MoKα","","0.0931","0.0722","","","0.1869","0.2072","","","","","","1.069","","","","has coordinates,has disorder","190236","2020-10-21","18:00:00",""
"7055846","15.7722","0.0007","17.7021","0.0007","17.77","0.0007","90","","97.681","0.002","90","","4916.9","0.4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H46 As2 N4 O Ru S -","- C53 H46 As2 N4 O Ru S -","- C212 H184 As8 N16 O4 Ru4 S4 -","4","1","","Raj Kumar, Ramasamy; Ramesh, Rengan; Małecki, Jan Grzegorz","Steric control on the coordination behaviour of carbazole thiosemicarbazones towards [RuH(Cl)(CO)(AsPh3)3]: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10084","","10.1039/C6NJ02430K","","","0.71073","MoKα","","0.1288","0.0698","","","0.0969","0.1126","","","","","","1.038","","","","has coordinates","190239","2020-10-21","18:00:00",""
"7055847","12.3121","0.0007","13.7064","0.0007","17.7353","0.0009","86.508","0.004","71.243","0.005","67.212","0.005","2605.8","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H51 As2 N5 O Ru S -","- C61 H51 As2 N5 O Ru S -","- C122 H102 As4 N10 O2 Ru2 S2 -","2","1","","Raj Kumar, Ramasamy; Ramesh, Rengan; Małecki, Jan Grzegorz","Steric control on the coordination behaviour of carbazole thiosemicarbazones towards [RuH(Cl)(CO)(AsPh3)3]: a combined experimental and theoretical study","New J. Chem.","2016","40","12","10084","","10.1039/C6NJ02430K","","x-ray","0.71073","MoKα","","0.0927","0.0539","","","0.1328","0.1624","","","","","","1.018","","","","has coordinates","190239","2020-10-21","18:00:00",""
"7055848","14.2118","0.0005","14.2118","0.0005","63.501","0.004","90","","90","","90","","12825.6","1","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 Eu3 O35 -","- C45 H31 Eu3 O23 -","- C360 H248 Eu24 O184 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0749","0.0618","","","0.1278","0.1327","","","","","","1.063","","","","has coordinates","190244","2020-10-21","18:00:00",""
"7055849","14.1842","0.0014","14.1842","0.0014","63.709","0.009","90","","90","","90","","12818","3","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 O35 Tb3 -","- C45 H31 O23 Tb3 -","- C360 H248 O184 Tb24 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0955","0.0815","","","0.1772","0.1842","","","","","","1.1","","","","has coordinates,has disorder","190244","2020-10-21","18:00:00",""
"7055850","14.1545","0.0003","14.1545","0.0003","62.938","0.002","90","","90","","90","","12609.6","0.6","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 Dy3 O35 -","- C45 H31 Dy3 O23 -","- C360 H248 Dy24 O184 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0376","0.0281","","","0.059","0.0613","","","","","","1.041","","","","has coordinates","190244","2020-10-21","18:00:00",""
"7055851","14.309","0.0004","14.309","0.0004","63.9","0.004","90","","90","","90","","13083.4","1","296.15","","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C45 H55 O35 Sm3 -","- C45 H31 O23 Sm3 -","- C360 H248 O184 Sm24 -","8","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","W-shaped 1,3-di(2,4-dicarboxyphenyl)benzene based lanthanide coordination polymers with tunable white light emission","New J. Chem.","2016","40","12","10440","","10.1039/C6NJ00294C","","","0.71073","MoKα","","0.0483","0.0372","","","0.0819","0.087","","","","","","1.064","","","","has coordinates","190244","2020-10-21","18:00:00",""
"7055852","19.4562","0.0031","15.796","0.0025","10.1007","0.0016","90","","103.17","0.002","90","","3022.6","0.8","110","2","110","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H54.24 Cu2 N4 O11.12 S4 -","- C68 H54.236 Cu2 N4 O11.118 S4 -","- C136 H108.472 Cu4 N8 O22.236 S8 -","2","0.5","","Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch","New J. Chem.","2016","40","12","10378","","10.1039/C6NJ02381A","","x-ray","0.7107","MoKα","","0.0694","0.0433","","","0.0991","0.1123","","","","","","1.045","","","","has coordinates,has disorder","190249","2020-10-21","18:00:00",""
"7055853","7.39817","0.00015","13.0179","0.0002","14.3767","0.0003","90","","90","","90","","1384.6","0.05","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C56 H56 N8 O24 -","8","1","","Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch","New J. Chem.","2016","40","12","10378","","10.1039/C6NJ02381A","","","0.71073","MoKα","","0.0394","0.0378","","","0.1093","0.1108","","","","","","1.064","","","","has coordinates","190249","2020-10-21","18:00:00",""
"7055854","8.7731","0.0005","13.7449","0.0007","16.6071","0.0009","90","","93.648","0.002","90","","1998.52","0.19","100","2","100","2","","","","","","","Synthetic","6","P 1 21 1","P 2yb","4","","","","- C14 H20 Cu N2 O13 S -","- C14 H19 Cu N2 O13 S -","- C56 H76 Cu4 N8 O52 S4 -","4","2","","Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch","New J. Chem.","2016","40","12","10378","","10.1039/C6NJ02381A","","x-ray","0.71073","MoKα","","0.0283","0.0255","","","0.0654","0.0664","","","","","","1.065","","","","has coordinates","190249","2020-10-21","18:00:00",""
"7055855","13.067","0.0009","17.8555","0.0012","36.247","0.003","90","","90","","90","","8457.1","1.1","100","2","100","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C14 H20 Cl Cu2 N3 O13 -","- C14 H20 Cl Cu2 N3 O13 -","- C224 H320 Cl16 Cu32 N48 O208 -","16","","","Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch","New J. Chem.","2016","40","12","10378","","10.1039/C6NJ02381A","","","0.71073","MoKα","","0.0668","0.0433","","","0.1041","0.1202","","","","","","1.026","","","","has coordinates,has disorder","190249","2020-10-21","18:00:00",""
"7055856","8.4875","0.0009","14.7989","0.0015","8.7734","0.0009","90","","101.334","0.002","90","","1080.5","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cu N8 O6 -","- C16 H22 Cu N8 O6 -","- C32 H44 Cu2 N16 O12 -","2","0.5","","Cheng, Meiling; Sun, Lin; Han, Wei; Wang, Shen; Liu, Qi; Sun, Xiaoqiang; Xi, Haitao","Effect of N ancillary ligands on the structure, nuclearity and magnetic behavior of Cu(ii)‒pyrazolecarboxylate complexes","New J. Chem.","2016","40","12","10504","","10.1039/C6NJ02338J","","","0.71073","MoKα","","0.0396","0.0314","","","0.0946","0.0998","","","","","","1.055","","","","has coordinates","190235","2020-10-21","18:00:00",""
"7055857","12.4984","0.0011","7.2846","0.0011","17.4974","0.0019","90","","102.95","0.003","90","","1552.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cu2 N4 O8 -","- C10 H16 Cu2 N4 O8 -","- C40 H64 Cu8 N16 O32 -","4","0.5","","Cheng, Meiling; Sun, Lin; Han, Wei; Wang, Shen; Liu, Qi; Sun, Xiaoqiang; Xi, Haitao","Effect of N ancillary ligands on the structure, nuclearity and magnetic behavior of Cu(ii)‒pyrazolecarboxylate complexes","New J. Chem.","2016","40","12","10504","","10.1039/C6NJ02338J","","","0.71073","MoKα","","0.0379","0.0333","","","0.0801","0.0876","","","","","","1.191","","","","has coordinates","190235","2020-10-21","18:00:00",""
"7055858","7.0667","0.0015","9.232","0.002","11.548","0.003","95.15","0.004","95.809","0.004","105.873","0.004","715.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cu2 N6 O11 -","- C20 H20 Cu2 N6 O11 -","- C20 H20 Cu2 N6 O11 -","1","0.5","","Cheng, Meiling; Sun, Lin; Han, Wei; Wang, Shen; Liu, Qi; Sun, Xiaoqiang; Xi, Haitao","Effect of N ancillary ligands on the structure, nuclearity and magnetic behavior of Cu(ii)‒pyrazolecarboxylate complexes","New J. Chem.","2016","40","12","10504","","10.1039/C6NJ02338J","","","0.71073","MoKα","","0.0696","0.0569","","","0.1681","0.1815","","","","","","1.098","","","","has coordinates,has disorder","190235","2020-10-21","18:00:00",""
"7055859","12.4393","0.0009","20.3403","0.0015","22.337","0.0015","90","","102.641","0.002","90","","5514.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C106 H114 Cu6 N24 O29 -","- C106 H114 Cu6 N24 O29 -","- C212 H228 Cu12 N48 O58 -","2","0.5","","Cheng, Meiling; Sun, Lin; Han, Wei; Wang, Shen; Liu, Qi; Sun, Xiaoqiang; Xi, Haitao","Effect of N ancillary ligands on the structure, nuclearity and magnetic behavior of Cu(ii)‒pyrazolecarboxylate complexes","New J. Chem.","2016","40","12","10504","","10.1039/C6NJ02338J","","","0.71073","MoKα","","0.0785","0.0448","","","0.1073","0.1242","","","","","","1.034","","","","has coordinates,has disorder","190235","2020-10-21","18:00:00",""
"7055863","7.9693","0.0005","8.4129","0.0005","9.1302","0.0005","68.058","0.005","85.402","0.005","71.258","0.006","537.13","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[1-methyl-3-carboxymethyl benzimidazolium betaine]2 CuBr2","","- C20 H20 Br2 Cu N4 O4 -","- C20 H20 Br2 Cu N4 O4 -","- C20 H20 Br2 Cu N4 O4 -","1","0.5","","Czekański, Łukasz; Hoffmann, Stanisław K.; Barczyński, Piotr; Gąsowska, Anna; Bregier-Jarzębowska, Romualda; Zalewska, Alina; Goslar, Janina; Ratajczak-Sitarz, Małgorzata; Katrusiak, Andrzej","Crystal structure and physical properties of 1-methyl-3-(carboxymethyl)benzimidazolium betaine·CuBr2 in crystal and water solution","New J. Chem.","2016","40","12","10526","","10.1039/C6NJ03192G","","","0.71073","MoKα","","0.0398","0.029","","","0.0681","0.0722","","","","","","1.008","","","","has coordinates","190233","2020-10-21","18:00:00",""