# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:00:22+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 Journal of Chemistry') AND volume = 45 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
"1561780","8.984","0.008","17.472","0.003","12.48","0.003","90","","99.44","0.01","90","","1932.4","1.8","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Cu N4 O6.5 -","- C17 H22 Cu N4 O6.5 -","- C68 H88 Cu4 N16 O26 -","4","2","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","","0.71073","MoKα","","0.1886","0.0427","","","0.0927","0.1204","","","","","","0.972","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1561781","9.1526","0.0004","13.794","0.0006","15.1145","0.0006","107.493","0.002","92.096","0.002","102.376","0.002","1767.2","0.13","150","","150","","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C38 H32 O8 -","- C38 H32 O8 -","- C76 H64 O16 -","2","1","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","x-ray","0.71073","MoKα","","0.0574","0.0443","","","0.1474","0.165","","","","","","1.073","","","","has coordinates","266145","2021-06-05","19:22:23",""
"1561782","9.4795","0.0009","13.3263","0.0011","26.101","0.003","94.943","0.003","98.261","0.004","98.981","0.003","3203.1","0.5","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C41 H37 N O6 -","- C41 H37 N O6 -","- C164 H148 N4 O24 -","4","2","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","x-ray","0.71073","MoKα","","0.0721","0.0456","","","0.1031","0.1159","","","","","","1.014","","","","has coordinates","266145","2021-06-05","19:22:23",""
"1561783","9.7076","0.0004","11.8242","0.0004","12.4785","0.0004","87.701","0.001","78.041","0.001","89.185","0.001","1400.1","0.09","150","2","150","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C38 H28 O8 -","- C38 H28 O8 -","- C76 H56 O16 -","2","1","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","x-ray","0.71073","MoKα","","0.0539","0.0396","","","0.1014","0.1098","","","","","","1.04","","","","has coordinates","266145","2021-06-05","19:22:23",""
"1561784","13.107","0.002","13.566","0.002","32.525","0.006","90","","90.549","0.008","90","","5783","1.6","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 O8 -","- C38 H30 O8 -","- C304 H240 O64 -","8","2","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","x-ray","0.71073","MoKα","","0.2878","0.2032","","","0.4287","0.4658","","","","","","1.112","","","","has coordinates","266145","2021-06-05","19:22:23",""
"1561785","12.2704","0.0011","12.9162","0.001","14.0637","0.0011","105.461","0.003","91.247","0.003","115.181","0.003","1920.6","0.3","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C45 H37 Cl2 O6 P S -","- C45 H37 Cl2 O6 P S -","- C90 H74 Cl4 O12 P2 S2 -","2","1","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","x-ray","0.71073","MoKα","","0.0818","0.0542","","","0.1235","0.1359","","","","","","1.088","","","","has coordinates,has disorder","266145","2021-06-05","19:22:23",""
"7059562","11.3947","0.0001","19.7346","0.0001","31.3137","0.0001","90","","92.186","0.001","90","","7036.38","0.07","123.05","0.1","123.05","0.1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C56 H30 Ag Al B Cl6 F46 N2 O3 P -","- C56 H30 Ag Al B Cl6 F46 N2 O3 P -","- C224 H120 Ag4 Al4 B4 Cl24 F184 N8 O12 P4 -","4","1","","Elsayed Moussa, Mehdi; Marquardt, Christian; Hegen, Oliver; Seidl, Michael; Scheer, Manfred","A new family of silver(i) complexes stabilised by the phosphanylborane (C6H5)2PBH2·N(CH3)3","New Journal of Chemistry","2021","45","33","14916","14919","10.1039/D0NJ01679A","","","1.54178","CuKα","","0.036","0.0334","","","0.0897","0.0912","","","","","","1.04","","","","has coordinates","268879","2021-09-06","12:07:13",""
"7059563","11.3066","0.0002","17.6908","0.0003","21.6344","0.0003","66.0358","0.0015","88.8395","0.0014","73.5586","0.0017","3770.45","0.12","123.01","0.1","123.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C66 H42 Ag Al B2 F46 N2 O3 P2 -","- C66 H42 Ag Al B2 F46 N2 O3 P2 -","- C132 H84 Ag2 Al2 B4 F92 N4 O6 P4 -","2","1","","Elsayed Moussa, Mehdi; Marquardt, Christian; Hegen, Oliver; Seidl, Michael; Scheer, Manfred","A new family of silver(i) complexes stabilised by the phosphanylborane (C6H5)2PBH2·N(CH3)3","New Journal of Chemistry","2021","45","33","14916","14919","10.1039/D0NJ01679A","","x-ray","1.54184","CuKα","","0.0317","0.0289","","","0.0697","0.0724","","","","","","1.055","","","","has coordinates,has disorder","268879","2021-09-06","12:07:13",""
"7059564","11.41518","0.00014","19.8618","0.0003","42.3218","0.0005","90","","90.4893","0.0011","90","","9595.1","0.2","123","1","123","1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C82 H65 Ag Al B3 Cl2 F46 N3 O3 P3 -","- C81 H63 Ag Al B3 F46 N3 O3 P3 -","- C324 H252 Ag4 Al4 B12 F184 N12 O12 P12 -","4","1","","Elsayed Moussa, Mehdi; Marquardt, Christian; Hegen, Oliver; Seidl, Michael; Scheer, Manfred","A new family of silver(i) complexes stabilised by the phosphanylborane (C6H5)2PBH2·N(CH3)3","New Journal of Chemistry","2021","45","33","14916","14919","10.1039/D0NJ01679A","","x-ray","0.71073","MoKα","","0.0493","0.0346","","","0.086","0.0888","","","","","","0.977","","","","has coordinates","268879","2021-09-06","12:07:13",""
"7059565","11.1197","0.0002","12.5198","0.0002","12.704","0.0002","90","","90","","90","","1768.61","0.05","123.05","0.1","123.05","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Ag B2 F4 N P -","- C15 H21 Ag B2 F4 N P -","- C60 H84 Ag4 B8 F16 N4 P4 -","4","1","","Elsayed Moussa, Mehdi; Marquardt, Christian; Hegen, Oliver; Seidl, Michael; Scheer, Manfred","A new family of silver(i) complexes stabilised by the phosphanylborane (C6H5)2PBH2·N(CH3)3","New Journal of Chemistry","2021","45","33","14916","14919","10.1039/D0NJ01679A","","","1.54178","CuKα","","0.0371","0.0352","","","0.0895","0.0906","","","","","","1.0323","","","","has coordinates,has disorder","268879","2021-09-06","12:07:13",""
"7059625","7.2341","0.0003","18.7113","0.0008","10.2532","0.0005","90","","93.5997","0.0013","90","","1385.13","0.11","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B10 N -","- C9 H15 B10 N -","- C36 H60 B40 N4 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Light-promoted copper-catalyzed cage C-arylation of o-carboranes: facile synthesis of 1-aryl-o-carboranes and o-carborane-fused cyclics","New Journal of Chemistry","2021","45","33","14944","14948","10.1039/D0NJ02029J","","","0.71073","MoKα","","0.0658","0.0496","","","0.1287","0.1422","","","","","","1.042","","","","has coordinates","268876","2021-09-06","12:06:02",""
"7059845","8.0148","0.0008","9.2899","0.0008","12.1811","0.0012","85.739","0.006","88.707","0.006","70.069","0.005","850.28","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 Cl I N2 O2 Pt -","- C15 H18 Cl I N2 O2 Pt -","- C30 H36 Cl2 I2 N4 O4 Pt2 -","2","1","","Robinson, Shawn; Puddephatt, Richard J.","Reactions of organoplatinum complexes with dimethylamine-borane","New Journal of Chemistry","2021","45","33","14965","14972","10.1039/D0NJ03168B","","","0.71073","MoKα","","0.0683","0.0533","","","0.1408","0.1489","","","","","","1.067","","","","has coordinates","268870","2021-09-06","12:03:49",""
"7059863","12.4025","0.0014","14.8764","0.0019","20.461","0.002","93.49","0.009","96.621","0.011","93.591","0.009","3733.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H54 B Cu N2 O2 -","- C39 H54 B Cu N2 O2 -","- C156 H216 B4 Cu4 N8 O8 -","4","2","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","","1.54184","CuKα","","0.1097","0.0605","","","0.1415","0.1582","","","","","","0.912","","","","has coordinates,has disorder","268874","2021-09-06","12:05:45",""
"7059864","10.6114","0.0002","15.0816","0.0004","22.6645","0.0005","90","","93.438","0.002","90","","3620.63","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B Cu N2 O3 -","- C32 H46 B Cu N2 O2 -","- C128 H184 B4 Cu4 N8 O8 -","4","1","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","x-ray","1.54184","CuKα","","0.0606","0.0543","","","0.1527","0.1598","","","","","","1.051","","","","has coordinates","268874","2021-09-06","12:05:46",""
"7059865","18.5018","0.0011","18.5259","0.0012","19.1587","0.0012","72.233","0.006","61.343","0.006","82.045","0.006","5487.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C162 H216 Cu55 N12 -","- C162 H216 Cu55 N12 -","- C162 H216 Cu55 N12 -","1","0.5","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","x-ray","1.54184","CuKα","","0.0847","0.0619","","","0.1796","0.2022","","","","","","1.061","","","","has coordinates","268874","2021-09-06","12:05:46",""
"7059866","10.8381","0.0001","25.8186","0.0002","41.5657","0.0003","90","","90","","90","","11631.1","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H66 B Cu N2 O2 -","- C74 H66 B Cu N2 O2 -","- C592 H528 B8 Cu8 N16 O16 -","8","1","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","x-ray","1.54184","CuKα","","0.0458","0.0423","","","0.1117","0.1151","","","","","","1.03","","","","has coordinates","268874","2021-09-06","12:05:46",""
"7059867","16.1031","0.0003","18.2156","0.0003","20.4319","0.0004","90","","97.627","0.002","90","","5940.22","0.19","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H92 B Cu N4 O4 -","- C64 H92 B Cu N4 O4 -","- C256 H368 B4 Cu4 N16 O16 -","4","0.5","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","x-ray","1.54184","CuKα","","0.042","0.039","","","0.0965","0.0984","","","","","","1.039","","","","has coordinates","268874","2021-09-06","12:05:46",""
"7059868","24.7078","0.0003","34.1167","0.0006","26.0758","0.0003","90","","93.763","0.001","90","","21933.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C324 H432 Cu179.02 N24 -","- C324 H432 Cu179.022 N24 -","- C648 H864 Cu358.044 N48 -","2","0.5","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","x-ray","1.54184","CuKα","","0.0735","0.052","","","0.1447","0.159","","","","","","1.046","","","","has coordinates,has disorder","268874","2021-09-06","12:05:46",""
"7059874","12.8214","0.0001","22.3082","0.0001","14.6199","0.0001","90","","113.563","0.001","90","","3832.96","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H43 N O2 P2 Ru -","- C44 H43 N O2 P2 Ru -","- C176 H172 N4 O8 P8 Ru4 -","4","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","1.54178","CuKα","","0.039","0.0323","","","0.0829","0.089","","","","","","1","","","","has coordinates","268868","2021-09-06","12:03:17",""
"7059875","10.756","0.0001","16.9328","0.0002","20.8157","0.0002","90","","93.991","0.001","90","","3781.95","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 P2 Ru -","- C47 H44 P2 Ru -","- C188 H176 P8 Ru4 -","4","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","0.71073","MoKα","","0.0479","0.0356","","","0.0836","0.0919","","","","","","1","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059876","39.5527","0.0015","9.5048","0.0004","33.7838","0.0016","90","","100.68","0.004","90","","12480.7","0.9","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C39 H34 Fe P2 -","- C39 H34 Fe P2 -","- C624 H544 Fe16 P32 -","16","4","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","1.54178","CuKα","","0.1405","0.0647","","","0.1146","0.1508","","","","","","0.959","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059877","9.907","0.0002","12.3781","0.0003","25.5901","0.0007","91.779","0.002","91.683","0.002","101.312","0.002","3073.65","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H38 Fe P2 -","- C37 H38 Fe P2 -","- C148 H152 Fe4 P8 -","4","2","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","0.71073","MoKα","","0.1052","0.0565","","","0.1089","0.1291","","","","","","1","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059878","9.3194","0.0002","17.5662","0.0004","39.2393","0.0013","90","","90","","90","","6423.7","0.3","101.6","0.4","101.6","0.4","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 O P2 Ru -","- C40 H36 O P2 Ru -","- C320 H288 O8 P16 Ru8 -","8","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","x-ray","1.54184","CuKα","","0.0872","0.0447","","","0.0775","0.0914","","","","","","1.059","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059879","9.4107","0.0001","17.3043","0.0003","39.0246","0.0006","90","","90","","90","","6354.98","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Fe O P2 -","- C40 H36 Fe O P2 -","- C320 H288 Fe8 O8 P16 -","8","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","1.54178","CuKα","","0.0809","0.0551","","","0.1276","0.1436","","","","","","1.002","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059880","8.3802","0.0001","22.2533","0.0003","19.4016","0.0003","90","","90.318","0.001","90","","3618.09","0.09","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H48 Fe P2 -","- C42 H48 Fe P2 -","- C168 H192 Fe4 P8 -","4","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","1.54178","CuKα","","0.0532","0.045","","","0.1033","0.1103","","","","","","1.001","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059881","8.7348","0.0002","19.3206","0.0004","10.6426","0.0002","90","","96.473","0.002","90","","1784.61","0.06","99","3","99","3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 P2 Ru -","- C42 H48 P2 Ru -","- C84 H96 P4 Ru2 -","2","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","x-ray","0.71073","MoKα","","0.0504","0.0371","","","0.0599","0.0655","","","","","","1.084","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059882","8.668","0.0001","18.522","0.0002","20.3518","0.0002","90","","98.041","0.001","90","","3235.33","0.06","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 P2 Ru -","- C37 H38 P2 Ru -","- C148 H152 P8 Ru4 -","4","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","x-ray","1.54184","CuKα","","0.0411","0.0376","","","0.1029","0.1062","","","","","","1.091","","","","has coordinates,has disorder","268868","2021-09-06","12:03:18",""
"7059998","16.0812","0.0014","9.6707","0.0008","17.1517","0.0015","90","","117.418","0.002","90","","2367.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.72 H65.3 B2 O2.93 S2 -","- C49.72 H65.3 B2 O2.93 S2 -","- C99.44 H130.6 B4 O5.86 S4 -","2","0.5","","Riensch, Nicolas Alexander; Fest, Maximilian; Fritze, Lars; Helbig, Andreas; Krummenacher, Ivo; Braunschweig, Holger; Helten, Holger","Bifuran-bridged bisboranes: highly luminescent B-doped oligohetarenes","New Journal of Chemistry","2021","45","33","14920","14924","10.1039/D0NJ04297H","","","0.71073","MoKα","","0.0761","0.059","","","0.1491","0.1596","","","","","","1.051","","","","has coordinates,has disorder","268871","2021-09-06","12:03:56",""
"7060085","7.1787","0.0005","10.2822","0.0006","16.1772","0.001","96.057","0.003","101.245","0.003","106.314","0.003","1107.59","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Li N2 O3 -","- C25 H27 Li N2 O3 -","- C50 H54 Li2 N4 O6 -","2","1","","Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro","New Journal of Chemistry","2021","45","1","45","52","10.1039/D0NJ04585C","","","0.71073","MoKα","","0.118","0.0621","","","0.1446","0.1841","","","","","","1.036","","","","has coordinates,has disorder","261724","2021-02-04","23:25:00",""
"7060086","18.108","0.003","7.1063","0.0012","19.003","0.003","90","","109.543","0.005","90","","2304.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cs F N2 O2 -","- C27 H20 Cs F N2 O2 -","- C108 H80 Cs4 F4 N8 O8 -","4","1","","Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro","New Journal of Chemistry","2021","45","1","45","52","10.1039/D0NJ04585C","","","0.71073","MoKα","","0.0596","0.0412","","","0.0959","0.1078","","","","","","1.004","","","","has coordinates,has disorder","261724","2021-02-04","23:25:00",""
"7060087","10.3951","0.001","10.6836","0.0012","17.2357","0.0019","72.414","0.005","77.519","0.005","88.313","0.005","1780.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H43 K N2 O4 -","- C38 H43 K N2 O4 -","- C76 H86 K2 N4 O8 -","2","1","","Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro","New Journal of Chemistry","2021","45","1","45","52","10.1039/D0NJ04585C","","","0.71073","MoKα","","0.138","0.0929","","","0.2284","0.2931","","","","","","1.099","","","","has coordinates,has disorder","261724","2021-02-04","23:25:00",""
"7060088","19.4525","0.0011","6.6516","0.0003","35.989","0.002","90","","98.923","0.003","90","","4600.3","0.4","296","2","296","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C54 H46 F2 Li2 N4 O7 -","- C54 H46 F2 Li2 N4 O7 -","- C216 H184 F8 Li8 N16 O28 -","4","0.5","","Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro","New Journal of Chemistry","2021","45","1","45","52","10.1039/D0NJ04585C","","","0.71076","MoKα","","0.0694","0.05","","","0.1323","0.1512","","","","","","1.037","","","","has coordinates,has disorder","261724","2021-02-04","23:25:00",""
"7060089","7.5686","0.0004","21.7486","0.0011","8.2075","0.0004","90","","105.783","0.002","90","","1300.07","0.11","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H12 N2 Se2 -","- C12 H12 N2 Se2 -","- C48 H48 N8 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0333","0.027","","","0.0637","0.066","","","","","","1.067","","","","has coordinates,has disorder","261720","2021-02-04","23:24:36",""
"7060090","7.1221","0.0004","28.6165","0.0013","8.66","0.0005","90","","105.763","0.002","90","","1698.62","0.16","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H16 N3 Se2 -","- C17 H16 N3 Se2 -","- C68 H64 N12 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0575","0.0367","","","0.067","0.0717","","","","","","1.085","","","","has coordinates","261720","2021-02-04","23:24:36",""
"7060091","8.5502","0.0006","7.009","0.0004","22.6261","0.0015","90","","90.121","0.003","90","","1355.94","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 Se2 -","- C12 H12 N2 Se2 -","- C48 H48 N8 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0995","0.0495","","","0.0999","0.1128","","","","","","1.076","","","","has coordinates","261720","2021-02-04","23:24:36",""
"7060092","9.0534","0.0005","13.1176","0.0006","16.4261","0.0007","90","","112.672","0.002","90","","1800","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl0.5 N2.5 Se2 -","- C16 H22 Cl0.5 N2.5 Se2 -","- C64 H88 Cl2 N10 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.1583","0.0624","","","0.1348","0.1591","","","","","","1.027","","","","has coordinates,has disorder","261720","2021-02-04","23:24:36",""
"7060093","8.2203","0.0008","14.6643","0.0016","9.438","0.0009","90","","110.312","0.003","90","","1066.96","0.19","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Br2 -","- C10 H12 Br2 -","- C40 H48 Br8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0333","0.022","","","0.0484","0.0513","","","","","","1.052","","","","has coordinates","261720","2021-02-04","23:24:36",""
"7060094","9.2775","0.0011","13.5469","0.0016","14.3091","0.0015","82.498","0.004","88.218","0.004","83.497","0.004","1771.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H37 Cl N2 O0.5 P Se2 -","- C38 H37 Cl N2 O0.5 P Se2 -","- C76 H74 Cl2 N4 O P2 Se4 -","2","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0819","0.0434","","","0.0958","0.1222","","","","","","1.142","","","","has coordinates,has disorder","261720","2021-02-04","23:24:36",""
"7060095","9.3752","0.0005","13.5967","0.0006","14.35","0.0007","82.051","0.002","87.549","0.002","83.173","0.002","1798.15","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H37 Br N2 O0.5 P Se2 -","- C38 H37 Br N2 O0.5 P Se2 -","- C76 H74 Br2 N4 O P2 Se4 -","2","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0785","0.0371","","","0.0732","0.091","","","","","","1.059","","","","has coordinates,has disorder","261720","2021-02-04","23:24:36",""
"7060096","9.2747","0.0002","10.6749","0.0002","34.3002","0.0006","90","","90","","90","","3395.94","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 I N2 P Se2 -","- C36 H32 I N2 P Se2 -","- C144 H128 I4 N8 P4 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0437","0.0327","","","0.0671","0.07","","","","","","1.02","","","","has coordinates","261720","2021-02-04","23:24:36",""
"7060097","13.6133","0.0004","4.83877","0.0001","20.4591","0.0005","90","","98.22","0.003","90","","1333.83","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N12 O7 -","- C6 H8 N12 O7 -","- C24 H32 N48 O28 -","4","1","","Tang, Yongxing; An, Ziwei; Chinnam, Ajay Kumar; Staples, Richard J.; Shreeve, Jean'ne M.","Very thermostable energetic materials based on a fused-triazole: 3,6-diamino-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole","New Journal of Chemistry","2021","45","1","85","91","10.1039/D0NJ05152G","","x-ray","1.54184","CuKα","","0.0748","0.0435","","","0.1012","0.1345","","","","","","1.129","","","","has coordinates,has disorder","261722","2021-02-04","23:24:46",""
"7060098","10.5503","0.0004","3.56337","0.00011","14.313","0.0005","90","","103.468","0.004","90","","523.29","0.03","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 N7 -","- C3 H5 N7 -","- C12 H20 N28 -","4","1","","Tang, Yongxing; An, Ziwei; Chinnam, Ajay Kumar; Staples, Richard J.; Shreeve, Jean'ne M.","Very thermostable energetic materials based on a fused-triazole: 3,6-diamino-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole","New Journal of Chemistry","2021","45","1","85","91","10.1039/D0NJ05152G","","x-ray","1.54184","CuKα","","0.0348","0.0334","","","0.0863","0.0876","","","","","","1.092","","","","has coordinates","261722","2021-02-04","23:24:46",""
"7060102","15.8581","0.0013","4.2689","0.0003","22.023","0.0018","90","","94.541","0.003","90","","1486.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenyl phenylethenyl oxadiazol oxadiazole","(E)-3-phenyl-5-[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]-1,2,4-oxadiazole","","- C18 H12 N4 O2 -","- C18 H12 N4 O2 -","- C72 H48 N16 O8 -","4","1","","Mayer, João C. P.; Acunha, Thiago V.; Rodrigues, Oscar E. D.; Back, Davi F.; Chaves, Otávio A.; Dornelles, Luciano; Iglesias, Bernardo A.","Synthesis, spectroscopic characterization and DNA/HSA binding studies of (phenyl/naphthyl)ethenyl-substituted 1,3,4-oxadiazolyl-1,2,4-oxadiazoles","New Journal of Chemistry","2021","45","1","471","484","10.1039/D0NJ04530F","","","0.71073","MoKα","","0.1129","0.0572","","","0.1129","0.1344","","","","","","1.015","","","","has coordinates","261721","2021-02-04","23:24:40",""
"7060122","8.9317","0.0011","10.6571","0.0014","21.888","0.003","92.819","0.002","101.376","0.002","112.551","0.002","1868.3","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 Mn2 N2 O32 -","- C76 H60 Mn2 N2 O32 -","- C76 H60 Mn2 N2 O32 -","1","0.5","","Lu, Lu; Wang, Jun; Shi, Chuncheng; Sun, Yanchun; Wu, Weiping; Pan, Ying; Muddassir, Mohd.","Four structural diversity MOF-photocatalysts readily prepared for the degradation of the methyl violet dye under UV-visible light","New Journal of Chemistry","2021","45","2","551","560","10.1039/D0NJ04478D","","","0.71073","MoKα","","0.0723","0.0478","","","0.122","0.1406","","","","","","1.074","","","","has coordinates","261744","2021-02-04","23:28:24",""
"7060123","10.0573","0.0005","9.4584","0.0005","21.6947","0.0011","90","","94.791","0.004","90","","2056.52","0.18","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C48 H30 Mn2 N4 O10 -","- C48 H30 Mn2 N4 O10 -","- C96 H60 Mn4 N8 O20 -","2","0.5","","Lu, Lu; Wang, Jun; Shi, Chuncheng; Sun, Yanchun; Wu, Weiping; Pan, Ying; Muddassir, Mohd.","Four structural diversity MOF-photocatalysts readily prepared for the degradation of the methyl violet dye under UV-visible light","New Journal of Chemistry","2021","45","2","551","560","10.1039/D0NJ04478D","","x-ray","1.54184","CuKα","","0.0541","0.0445","","","0.1053","0.1121","","","","","","1.066","","","","has coordinates","261744","2021-02-04","23:28:24",""
"7060124","9.5701","0.0002","21.0055","0.0005","15.5936","0.0004","90","","91.286","0.002","90","","3133.91","0.13","293.2","0.8","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H53.16 Br0.84 Co2 N10 O10 -","- C75 H53.16 Br0.84 Co2 N10 O10 -","- C150 H106.32 Br1.68 Co4 N20 O20 -","2","0.5","","Lu, Lu; Wang, Jun; Shi, Chuncheng; Sun, Yanchun; Wu, Weiping; Pan, Ying; Muddassir, Mohd.","Four structural diversity MOF-photocatalysts readily prepared for the degradation of the methyl violet dye under UV-visible light","New Journal of Chemistry","2021","45","2","551","560","10.1039/D0NJ04478D","","","1.54184","CuKα","","0.0632","0.0519","","","0.1259","0.1327","","","","","","1.063","","","","has coordinates,has disorder","261744","2021-02-04","23:28:24",""
"7060125","7.7545","0.0007","17.5971","0.0016","17.4176","0.0015","90","","94.01","0.002","90","","2370.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Co N5 O8 -","- C23 H22 Co N5 O8 -","- C92 H88 Co4 N20 O32 -","4","1","","Lu, Lu; Wang, Jun; Shi, Chuncheng; Sun, Yanchun; Wu, Weiping; Pan, Ying; Muddassir, Mohd.","Four structural diversity MOF-photocatalysts readily prepared for the degradation of the methyl violet dye under UV-visible light","New Journal of Chemistry","2021","45","2","551","560","10.1039/D0NJ04478D","","","0.71073","MoKα","","0.0668","0.0428","","","0.085","0.0926","","","","","","1.042","","","","has coordinates","261744","2021-02-04","23:28:24",""
"7060136","6.82","0.002","6.612","0.003","14.279","0.006","90","","91.88","0.04","90","","643.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N6 O5 -","- C11 H14 N6 O5 -","- C22 H28 N12 O10 -","2","1","","Rungta, Pallavi; Kumar, Manish; Mangla, Priyanka; Kumar, Sandeep; Prasad, Ashok K.","Chemo-enzymatic access to C-4′-hydroxyl-tetrahydrofurano-spironucleosides","New Journal of Chemistry","2021","45","3","1609","1616","10.1039/D0NJ03253K","","","0.71073","MoKα","","0.1788","0.0822","","","0.154","0.2046","","","","","","0.983","","","","has coordinates","261745","2021-02-04","23:28:29",""
"7060137","19.902","0.005","9.306","0.002","25.052","0.005","90","","110.827","0.007","90","","4336.7","1.7","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N6 O2 S2 Zn -","- C50 H36 N6 O2 S2 Zn -","- C200 H144 N24 O8 S8 Zn4 -","4","1","","Kumar, Yogesh; Singh, Vishwa Deepak; Dwivedi, Bhupendra Kumar; Singh, Nikhil Kumar; Pandey, Daya Shankar","Solid state emissive azo-Schiff base ligands and their Zn(ii) complexes: acidochromism and photoswitching behaviour","New Journal of Chemistry","2021","45","1","199","207","10.1039/D0NJ03401K","","","0.71073","MoKα","","0.1055","0.0651","","","0.1584","0.1768","","","","","","0.8799","","","","has coordinates","261719","2021-02-04","23:24:24",""
"7060138","10.8345","0.0018","14.111","0.002","16.085","0.003","109.261","0.006","107.479","0.005","91.516","0.006","2192.7","0.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 N6 O2 S2 Zn -","- C52 H40 N6 O2 S2 Zn -","- C104 H80 N12 O4 S4 Zn2 -","2","1","","Kumar, Yogesh; Singh, Vishwa Deepak; Dwivedi, Bhupendra Kumar; Singh, Nikhil Kumar; Pandey, Daya Shankar","Solid state emissive azo-Schiff base ligands and their Zn(ii) complexes: acidochromism and photoswitching behaviour","New Journal of Chemistry","2021","45","1","199","207","10.1039/D0NJ03401K","","","0.71073","MoKα","","0.0749","0.0507","","","0.1477","0.1674","","","","","","1.072","","","","has coordinates","261719","2021-02-04","23:24:24",""
"7060139","11.1603","0.0006","22.0801","0.001","14.1151","0.0006","90","","96.41","0.002","90","","3456.5","0.3","120","2","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H96 Fe6 N10 O22 -","- C50 H96 Fe6 N10 O22 -","- C100 H192 Fe12 N20 O44 -","2","0.5","","Akhtar, Muhammad Nadeem; I., Mantasha; Shahid, M.; AlDamen, Murad A.; Khalid, Muhammad; Akram, Muhammad","Cationic dye adsorption and separation at discrete molecular level: first example of an iron cluster with rapid and selective adsorption of methylene blue from aqueous system","New Journal of Chemistry","2021","45","3","1415","1422","10.1039/D0NJ05242F","","","0.71073","MoKα","","0.0689","0.0394","","","0.0763","0.0855","","","","","","1.023","","","","has coordinates,has disorder","261750","2021-02-04","23:29:08",""
"7060140","9.5806","0.0004","18.4584","0.0009","10.4334","0.0004","90","","91.07","0.004","90","","1844.75","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N5 -","- C22 H25 N5 -","- C88 H100 N20 -","4","1","","Rakhimova, Elena B.; Kirsanov, Victor Yu.; Mescheryakova, Ekaterina S.; Khalilov, Leonard M.; Ibragimov, Askhat G.","N-Substituted tetrahydropentaazadibenzocycloheptafluorenes ‒ a new type of condensed polyazapolycyclic system","New Journal of Chemistry","2021","45","3","1240","1246","10.1039/D0NJ05270A","","x-ray","0.71073","MoKα","","0.088","0.0479","","","0.1079","0.127","","","","","","1.019","","","","has coordinates","261753","2021-02-04","23:29:30",""
"7060141","21.6539","0.0006","21.6539","0.0006","8.3373","0.0003","90","","90","","120","","3385.54","0.18","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C16 H11 Co2 N5 O6 -","- C16 H13 Co2 N5 O6 -","- C96 H78 Co12 N30 O36 -","6","1","","Wu, Tai-Xue; Jia, Jun-Song; Luo, Wei; Bian, He-Dong; Tang, Hai-Tao; Pan, Ying-Ming; Huang, Fu-Ping","A robust heterogeneous Co-MOF catalyst in azide‒alkyne cycloaddition and Friedel‒Crafts reactions as well as hydrosilylation of alkynes","New Journal of Chemistry","2021","45","2","872","880","10.1039/D0NJ04626D","","x-ray","0.71073","MoKα","","0.0284","0.0241","","","0.0563","0.0587","","","","","","1.052","","","","has coordinates","261740","2021-02-04","23:27:38",""
"7060142","21.6328","0.0009","21.6328","0.0009","8.3468","0.0004","90","","90","","120","","3382.8","0.3","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C16 H13 Co2 N5 O6.33 -","- C16 H13 Co2 N5 O6 -","- C96 H78 Co12 N30 O36 -","6","1","","Wu, Tai-Xue; Jia, Jun-Song; Luo, Wei; Bian, He-Dong; Tang, Hai-Tao; Pan, Ying-Ming; Huang, Fu-Ping","A robust heterogeneous Co-MOF catalyst in azide‒alkyne cycloaddition and Friedel‒Crafts reactions as well as hydrosilylation of alkynes","New Journal of Chemistry","2021","45","2","872","880","10.1039/D0NJ04626D","","","0.71073","MoKα","","0.0416","0.0327","","","0.0631","0.0658","","","","","","0.972","","","","has coordinates","261740","2021-02-04","23:27:38",""
"7060143","16.21","0.008","7.525","0.004","12.606","0.006","90","","97.855","0.006","90","","1523.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Fe N O3 P -","- C14 H22 Fe N O3 P -","- C56 H88 Fe4 N4 O12 P4 -","4","1","","Gilmanova, Leisan; Shekurov, Ruslan; Khrizanforov, Mikhail; Ivshin, Kamil; Kataeva, Olga; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Vasily, Miluykov","First example of Ugi's amine as a platform for the construction of chiral coordination polymers: synthesis and properties","New Journal of Chemistry","2021","45","5","2791","2794","10.1039/D0NJ04783J","","","0.71073","MoKα","","0.1418","0.0584","","","0.1306","0.1678","","","","","","1.024","","","","has coordinates","262682","2021-03-05","02:17:03",""
"7060144","11.3027","0.0007","11.3027","0.0007","17.8993","0.0013","90","","90","","90","","2286.7","0.3","296","2","296","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","Ni2(bpy)2L2","","- C48 H54 Fe2 N6 Ni O4 P2 -","- C20 H16 Fe4 N4 Ni O2 P1.2 -","- C40 H32 Fe8 N8 Ni2 O4 P2.4 -","2","0.0625","","Gilmanova, Leisan; Shekurov, Ruslan; Khrizanforov, Mikhail; Ivshin, Kamil; Kataeva, Olga; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Vasily, Miluykov","First example of Ugi's amine as a platform for the construction of chiral coordination polymers: synthesis and properties","New Journal of Chemistry","2021","45","5","2791","2794","10.1039/D0NJ04783J","","","0.71073","MoKα","","0.1235","0.12","","","0.304","0.3158","","","","","","1.537","","","","has coordinates,has disorder","262682","2021-03-05","02:17:03",""
"7060145","13.4946","0.0018","19.45","0.003","17.18","0.002","90","","105.833","0.003","90","","4338.2","1","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- Cs8 H0 Mo12 Na6 O67 P2 Ru V6 -","- Cs8 Mo12 Na6 O67 P2 Ru V6 -","- Cs16 Mo24 Na12 O134 P4 Ru2 V12 -","2","0.5","","Shi, Hao-Yu; Zhou, Wen-Yan; Song, Xiao-Ming; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Ruthenium(ii)-supported phosphovanadomolybdates [Ru(dmso)3PMo6V3O32]6− and [Ru(PMo6V3O32)2]14−, and their use as heterogeneous catalysts for oxidation of alcohols","New Journal of Chemistry","2021","45","3","1551","1555","10.1039/D0NJ05752E","","","0.71073","MoKα","","0.0969","0.0823","","","0.1893","0.1946","","","","","","1.214","","","","has coordinates","261751","2021-02-04","23:29:15",""
"7060146","20.281","0.0016","19.8627","0.0015","13.2758","0.001","90","","90","","90","","5348","0.7","296","2","296","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C6 H18 Cs3 Mo6 Na3 O40 P Ru S3 V3 -","- C6 H18 Cs3 Mo6 Na3 O40 P Ru S3 V3 -","- C24 H72 Cs12 Mo24 Na12 O160 P4 Ru4 S12 V12 -","4","1","","Shi, Hao-Yu; Zhou, Wen-Yan; Song, Xiao-Ming; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Ruthenium(ii)-supported phosphovanadomolybdates [Ru(dmso)3PMo6V3O32]6− and [Ru(PMo6V3O32)2]14−, and their use as heterogeneous catalysts for oxidation of alcohols","New Journal of Chemistry","2021","45","3","1551","1555","10.1039/D0NJ05752E","","","0.71073","MoKα","","0.0539","0.0526","","","0.1354","0.1359","","","","","","1.154","","","","has coordinates","261751","2021-02-04","23:29:15",""
"7060147","20.251","0.004","6.596","0.0013","18.852","0.004","90","","91.14","0.03","90","","2517.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H114 Cl4 Co N8 O12 -","- C114 H114 Cl4 Co N8 O12 -","- C114 H114 Cl4 Co N8 O12 -","1","0.25","","Aldoshin, Sergey; Ivakhnenko, Eugeny; Shilov, Gennadii; Tkachev, Valerii; Utenyshev, Andrei; Palii, Andreii; Dorovatovskii, Pavel; Kovalenko, Anastasiia; Morgunov, Roman; Metelitsa, Anatoly; Minkin, Vladimir","Synthesis, crystal molecular structure, and magnetic characteristics of coordination polymers formed by Co(ii) diketonates with pentaheterocyclic triphenodioxazines","New Journal of Chemistry","2021","45","1","304","313","10.1039/D0NJ05279E","","","0.79272","synchrotron","","0.0772","0.0593","","","0.1588","0.1756","","","","","","1.032","","","","has coordinates,has disorder","261725","2021-02-04","23:25:11",""
"7060148","9.416","0.0019","13.569","0.003","14.14","0.003","94.41","0.03","97.43","0.03","105.87","0.03","1711.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Co F6 N2 O6 -","- C36 H34 Co F6 N2 O6 -","- C72 H68 Co2 F12 N4 O12 -","2","1","","Aldoshin, Sergey; Ivakhnenko, Eugeny; Shilov, Gennadii; Tkachev, Valerii; Utenyshev, Andrei; Palii, Andreii; Dorovatovskii, Pavel; Kovalenko, Anastasiia; Morgunov, Roman; Metelitsa, Anatoly; Minkin, Vladimir","Synthesis, crystal molecular structure, and magnetic characteristics of coordination polymers formed by Co(ii) diketonates with pentaheterocyclic triphenodioxazines","New Journal of Chemistry","2021","45","1","304","313","10.1039/D0NJ05279E","","","0.79272","synchrotron","","0.0755","0.0552","","","0.1498","0.1652","","","","","","1.031","","","","has coordinates,has disorder","261725","2021-02-04","23:25:16",""
"7060149","14.332","0.003","10.037","0.0002","15.245","0.003","90","","95.01","0.03","90","","2184.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N2 O2 -","- C26 H25 Cl N2 O2 -","- C104 H100 Cl4 N8 O8 -","4","1","","Aldoshin, Sergey; Ivakhnenko, Eugeny; Shilov, Gennadii; Tkachev, Valerii; Utenyshev, Andrei; Palii, Andreii; Dorovatovskii, Pavel; Kovalenko, Anastasiia; Morgunov, Roman; Metelitsa, Anatoly; Minkin, Vladimir","Synthesis, crystal molecular structure, and magnetic characteristics of coordination polymers formed by Co(ii) diketonates with pentaheterocyclic triphenodioxazines","New Journal of Chemistry","2021","45","1","304","313","10.1039/D0NJ05279E","","","0.79475","synchrotron","","0.1188","0.0654","","","0.1605","0.1938","","","","","","1.006","","","","has coordinates","261725","2021-02-04","23:25:16",""
"7060150","9.5113","0.0019","13.682","0.003","14.743","0.003","94.97","0.03","95.59","0.03","104.55","0.03","1835.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H27 Cl Co F12 N2 O6 -","- C36 H27 Cl Co F12 N2 O6 -","- C72 H54 Cl2 Co2 F24 N4 O12 -","2","1","","Aldoshin, Sergey; Ivakhnenko, Eugeny; Shilov, Gennadii; Tkachev, Valerii; Utenyshev, Andrei; Palii, Andreii; Dorovatovskii, Pavel; Kovalenko, Anastasiia; Morgunov, Roman; Metelitsa, Anatoly; Minkin, Vladimir","Synthesis, crystal molecular structure, and magnetic characteristics of coordination polymers formed by Co(ii) diketonates with pentaheterocyclic triphenodioxazines","New Journal of Chemistry","2021","45","1","304","313","10.1039/D0NJ05279E","","","0.7879","synchrotron","","0.0597","0.0445","","","0.1169","0.1269","","","","","","1.037","","","","has coordinates,has disorder","261725","2021-02-04","23:25:16",""
"7060151","14.6492","0.0006","13.5479","0.0005","15.744","0.0006","90","","98.053","0.002","90","","3093.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H12.96 B Br1.04 F10 N3 O3 -","- C36 H12.9612 B Br1.0388 F10 N3 O3 -","- C144 H51.8448 B4 Br4.1552 F40 N12 O12 -","4","1","","Holst, Devon P.; Dovijarski, Aleksa; Lough, Alan J.; Bender, Timothy P.","Enhanced analytical and physical characterization of mixtures of random bay-position brominated boron subnaphthalocyanines enabled by establishing a partial separation method","New Journal of Chemistry","2021","45","13","5791","5807","10.1039/D0NJ04974C","","","1.54178","CuKα","","0.0489","0.0384","","","0.0958","0.104","","","","","","1.028","","","","has coordinates,has disorder","264919","2021-05-05","08:54:36",""
"7060152","13.9486","0.0004","22.9133","0.0007","20.0205","0.0006","90","","104.421","0.003","90","","6197.1","0.3","293","0.1","293","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H120 Al4 N4 O32 S8 -","- C92 H120 Al4 N4 O32 S8 -","- C184 H240 Al8 N8 O64 S16 -","2","0.5","","O’Toole, Niall; Lecourt, Constance; Suffren, Yan; Toche, François; Chiriac, Rodica; Gilon, Nicole; Bessueille, François; Brioude, Arnaud; Jeanneau, Erwann; Luneau, Dominique; Desroches, Cédric","Intercalation of a manganese(ii)-thiacalixarene luminescent complex in layered double hydroxides: synthesis and photophysical characterization","New Journal of Chemistry","2021","45","1","343","350","10.1039/D0NJ04890A","","x-ray","0.71073","MoKα","","0.1269","0.0653","","","0.1327","0.1567","","","","","","1","","","","has coordinates,has disorder","261723","2021-02-04","23:24:52",""
"7060153","9.8217","0.0009","9.8217","0.0009","32.6","0.005","90","","90","","120","","2723.5","0.5","298","2","298","2","","","","","","","","6","P 61","P 61","169","","","","- C18 H18 F6 N O P -","- C18 H18 F6 N O P -","- C108 H108 F36 N6 O6 P6 -","6","1","","Puerto Galvis, Carlos E.; Granados, Cristian C.; Kouznetsov, Vladimir V.; Macías, Mario A.","Synthesis and X-ray crystallographic analysis of free base and hexafluorophosphate salts of 3,4-dihydroisoquinolines from the Bischler‒Napieralski reaction","New Journal of Chemistry","2021","45","3","1565","1572","10.1039/D0NJ05235C","","","0.71073","MoKα","","0.0775","0.0636","","","0.1704","0.1866","","","","","","1.073","","","","has coordinates,has disorder","261748","2021-02-04","23:28:52",""
"7060154","11.8343","0.0016","12.4529","0.0011","14.8774","0.0018","90","","106.205","0.013","90","","2105.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Puerto Galvis, Carlos E.; Granados, Cristian C.; Kouznetsov, Vladimir V.; Macías, Mario A.","Synthesis and X-ray crystallographic analysis of free base and hexafluorophosphate salts of 3,4-dihydroisoquinolines from the Bischler‒Napieralski reaction","New Journal of Chemistry","2021","45","3","1565","1572","10.1039/D0NJ05235C","","","0.71073","MoKα","","0.1077","0.0852","","","0.2501","0.2637","","","","","","1.757","","","","has coordinates","261748","2021-02-04","23:28:52",""
"7060157","8.2956","0.0007","8.4968","0.0007","12.4697","0.0011","90","","95.072","0.003","90","","875.5","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N6 O5 -","- C4 H8 N6 O5 -","- C16 H32 N24 O20 -","4","1","","Lu, Tian; He, Yuna; Song, Jia; Hou, Zhengwen; Yin, Hongquan; Fan, Guijuan; Chen, Fu-Xue","Synthesis and properties of gem-dinitro energetic salts based on 1,2,4-oxadiazole with low impact sensitivity","New Journal of Chemistry","2021","45","2","526","529","10.1039/D0NJ05530A","","","0.71073","MoKα","","0.1019","0.0984","","","0.2562","0.2576","","","","","","1.275","","","","has coordinates","261743","2021-02-04","23:28:16",""
"7060158","8.898","0.003","15.1","0.005","6.171","0.002","90","","97.794","0.009","90","","821.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 Cl N4 O5 -","- C4 H3 Cl N4 O5 -","- C16 H12 Cl4 N16 O20 -","4","1","","Lu, Tian; He, Yuna; Song, Jia; Hou, Zhengwen; Yin, Hongquan; Fan, Guijuan; Chen, Fu-Xue","Synthesis and properties of gem-dinitro energetic salts based on 1,2,4-oxadiazole with low impact sensitivity","New Journal of Chemistry","2021","45","2","526","529","10.1039/D0NJ05530A","","","0.71073","MoKα","","0.0311","0.0293","","","0.0888","0.0905","","","","","","1.066","","","","has coordinates","261743","2021-02-04","23:28:16",""
"7060159","7.9304","0.0002","15.4465","0.0005","39.4906","0.0013","90","","90","","90","","4837.5","0.3","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 K3 N12 O15 -","- C12 H9 K3 N12 O15 -","- C96 H72 K24 N96 O120 -","8","1","","Lu, Tian; He, Yuna; Song, Jia; Hou, Zhengwen; Yin, Hongquan; Fan, Guijuan; Chen, Fu-Xue","Synthesis and properties of gem-dinitro energetic salts based on 1,2,4-oxadiazole with low impact sensitivity","New Journal of Chemistry","2021","45","2","526","529","10.1039/D0NJ05530A","","","0.71073","MoKα","","0.0342","0.0275","","","0.0636","0.0677","","","","","","1.079","","","","has coordinates","261743","2021-02-04","23:28:16",""
"7060160","8.2773","0.0003","10.4031","0.0003","15.3328","0.0005","80.801","0.003","79.757","0.003","73.423","0.003","1236.89","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N4 O5 -","- C27 H28 N4 O5 -","- C54 H56 N8 O10 -","2","1","","Ramle, Abdul Qaiyum; Tiekink, Edward R. T.; Fei, Chee Chin; Julkapli, Nurhidayatullaili Muhd.; Basirun, Wan Jefrey","Supramolecular assembly and spectroscopic characterization of indolenine‒barbituric acid zwitterions","New Journal of Chemistry","2021","45","3","1221","1230","10.1039/D0NJ04357E","","","1.54184","CuKα","","0.0588","0.0512","","","0.1416","0.1509","","","","","","1.028","","","","has coordinates","261756","2021-02-04","23:29:47",""
"7060161","10.115","0.006","22.716","0.008","8.414","0.006","90","","102.49","0.05","90","","1887.6","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","1","","Chortani, Sarra; Othman, Mohamed; Lawson, Ata Martin; Romdhane, Anis; Ben Jannet, Hichem; Knorr, Michael; Brieger, Lukas; Strohmann, Carsten; Daïch, Adam","Aza-heterocyclic frameworks through intramolecular π-system trapping of spiro-N-acyliminiums generated from isoindolinone","New Journal of Chemistry","2021","45","5","2393","2403","10.1039/D0NJ04052E","","","0.71073","MoKα","","0.0903","0.0506","","","0.1156","0.1352","","","","","","1.031","","","","has coordinates","262683","2021-03-05","02:17:09",""
"7060162","8.4505","0.0017","19.92","0.004","13.65","0.003","90","","94.14","0.03","90","","2291.8","0.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Chortani, Sarra; Othman, Mohamed; Lawson, Ata Martin; Romdhane, Anis; Ben Jannet, Hichem; Knorr, Michael; Brieger, Lukas; Strohmann, Carsten; Daïch, Adam","Aza-heterocyclic frameworks through intramolecular π-system trapping of spiro-N-acyliminiums generated from isoindolinone","New Journal of Chemistry","2021","45","5","2393","2403","10.1039/D0NJ04052E","","","0.71073","MoKα","","0.0549","0.0466","","","0.124","0.1308","","","","","","1.067","","","","has coordinates","262683","2021-03-05","02:17:09",""
"7060163","9.9266","0.0002","12.2058","0.0003","18.2152","0.0005","90","","90.298","0.002","90","","2206.96","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N4 Pd S -","- C22 H23 Cl N4 Pd S -","- C88 H92 Cl4 N16 Pd4 S4 -","4","2","","Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P.","PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones","New Journal of Chemistry","2021","45","4","1785","1789","10.1039/D0NJ05386D","","","0.71073","MoKα","","0.0333","0.0298","","","0.0599","0.0619","","","","","","1.052","","","","has coordinates","261730","2021-02-04","23:26:02",""
"7060164","32.138","0.0006","7.4729","0.0001","19.9249","0.0003","90","","100.303","0.002","90","","4708.09","0.13","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H25 Cl N5 O0.5 Pd S -","- C22.5 H25 Cl N5 O0.5 Pd S -","- C180 H200 Cl8 N40 O4 Pd8 S8 -","8","1","","Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P.","PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones","New Journal of Chemistry","2021","45","4","1785","1789","10.1039/D0NJ05386D","","x-ray","0.71073","MoKα","","0.0384","0.0261","","","0.0572","0.0633","","","","","","1.057","","","","has coordinates","261730","2021-02-04","23:26:02",""
"7060165","17.1744","0.0004","7.7314","0.0003","20.6353","0.0005","90","","91.722","0.002","90","","2738.76","0.14","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl4 N5 Pt S -","- C22 H23 Cl4 N5 Pt S -","- C88 H92 Cl16 N20 Pt4 S4 -","4","1","","Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P.","PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones","New Journal of Chemistry","2021","45","4","1785","1789","10.1039/D0NJ05386D","","","0.71073","MoKα","","0.0628","0.0407","","","0.0729","0.0824","","","","","","1.065","","","","has coordinates,has disorder","261730","2021-02-04","23:26:02",""
"7060166","19.2546","0.0018","15.9382","0.0014","7.3011","0.0006","90","","95.247","0.008","90","","2231.2","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl N4 Pt S -","- C22 H23 Cl N4 Pt S -","- C88 H92 Cl4 N16 Pt4 S4 -","4","1","","Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P.","PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones","New Journal of Chemistry","2021","45","4","1785","1789","10.1039/D0NJ05386D","","x-ray","0.71073","MoKα","","0.0389","0.0276","","","0.0471","0.0516","","","","","","1.06","","","","has coordinates","261730","2021-02-04","23:26:02",""
"7060167","16.8562","0.0008","18.0364","0.0008","11.8855","0.0005","90","","111.028","0.002","90","","3372.9","0.3","298.41","","298.41","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","2","","Lara-Cerón, Jesús A.; Jiménez-Pérez, Víctor M.; Molina-Paredes, Areli A.; Sánchez, Mario; Dias, H. V. Rasika; Ramírez-Montes, Pedro I.; Muñoz-Flores, Blanca M.","Preferential intermolecular interactions in a racemic mixture of amino acid Schiff base, conformational structures in solid state, and DFT studies","New Journal of Chemistry","2021","45","3","1727","1733","10.1039/D0NJ04720A","","","0.71073","MoKα","","0.0882","0.049","","","0.1027","0.1222","","","","","","1.048","","","","has coordinates","261747","2021-02-04","23:28:46",""
"7060168","8.3488","0.0009","10.4603","0.0011","29.766","0.003","90","","90","","90","","2599.5","0.5","273","2","273.15","","","","","","","","organic synthesis","6","P 21 21 21","P 2ac 2ab","19","tricyclic compounds containing trihydro-quinoline","tricyclic compounds containing trihydro-quinoline","","- C28 H18 Cl3 F3 N2 O4 -","- C28 H18 Cl3 F3 N2 O4 -","- C112 H72 Cl12 F12 N8 O16 -","4","1","","Zhang, Xiao-Long; Feng, Kai-Xiang; Hu, Jian-Liang; Shen, Qiao-Yu; Huang, Wang-Sheng; Xia, Ai-Bao; Li, Chen; Xu, Dan-Qian","One-pot asymmetric synthesis of a hexahydrophenanthridine scaffold containing five stereocenters via an organocatalytic quadruple-cascade reaction","New Journal of Chemistry","2021","45","3","1168","1171","10.1039/D0NJ03946B","","","0.71073","MoKα","","0.0551","0.0367","","","0.0669","0.0727","","","","","","0.971","","","","has coordinates","261755","2021-02-04","23:29:41",""
"7060169","9.895","0.0006","14.1098","0.001","17.6549","0.0014","98.039","0.006","91.161","0.006","110.473","0.006","2280.2","0.3","100","2","100","2","","","","","","","no","4","P -1","-P 1","2","","salt of singly-bonded fullerene (C60-)2 dimer with methylviologen radical cations, dichlorobenzene-benzene solvate","","- C162 H41 Cl5 N4 -","- C162 H41 Cl5 N4 -","- C162 H41 Cl5 N4 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Obraztsov, Oleg A.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Reversible dissociation of singly-bonded (C60−)2 dimers in (MV˙+)2(C60−)2·solvent salt containing paramagnetic methyl viologen MV˙+ radical cations","New Journal of Chemistry","2021","45","3","1163","1167","10.1039/D0NJ05076H","","x-ray","0.71073","MoKα","","0.1613","0.0955","","","0.2384","0.2642","","","","","","0.972","","","","has coordinates,has disorder","261754","2021-02-04","23:29:36",""
"7060170","13.136","0.003","14.342","0.003","17.946","0.004","97.773","0.005","98.17","0.004","111.683","0.004","3044.4","1.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H126 Cl6 Dy2 N8 O59 Zn4 -","- C88 H126 Cl6 Dy2 N8 O59 Zn4 -","- C88 H126 Cl6 Dy2 N8 O59 Zn4 -","1","0.5","","Zhang, Xiao-Nuan; Hu, Jun-Jie; Zhang, Jia-Li; Liu, Sui-Jun; Liao, Jin-Sheng; Wen, He-Rui","Multifunctional ZnII‒LnIII (Ln = Tb, Dy) complexes based on the amine-phenol ligand with field-induced slow magnetic relaxation, luminescence, and proton conduction","New Journal of Chemistry","2021","45","7","3392","3399","10.1039/D0NJ04926C","","","0.71073","MoKα","","0.0595","0.0489","","","0.1236","0.1369","","","","","","1.099","","","","has coordinates","262701","2021-03-05","02:21:51",""
"7060171","13.119","0.0015","14.3254","0.0016","17.951","0.002","97.82","0.003","98.14","0.003","111.643","0.003","3038.5","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H70 Cl3 N4 O29 Tb Zn2 -","- C44 H64 Cl3 N4 O29.5 Tb Zn2 -","- C88 H128 Cl6 N8 O59 Tb2 Zn4 -","2","1","","Zhang, Xiao-Nuan; Hu, Jun-Jie; Zhang, Jia-Li; Liu, Sui-Jun; Liao, Jin-Sheng; Wen, He-Rui","Multifunctional ZnII‒LnIII (Ln = Tb, Dy) complexes based on the amine-phenol ligand with field-induced slow magnetic relaxation, luminescence, and proton conduction","New Journal of Chemistry","2021","45","7","3392","3399","10.1039/D0NJ04926C","","","0.71073","MoKα","","0.0842","0.0548","","","0.1227","0.1446","","","","","","1.069","","","","has coordinates","262701","2021-03-05","02:21:51",""
"7060172","11.6051","0.0005","11.6051","0.0005","25.651","0.003","90","","90","","90","","3454.6","0.5","173","","173","","","","","","","","","6","P 4/m c c","-P 4 2c","124","","","","- C56 H57 Cl3 Dy4 N16 O21 -","- C56 H56 Cl3 Dy4 N16 O21 -","- C112 H112 Cl6 Dy8 N32 O42 -","2","0.125","","Wu, Jianfeng; Liu, Dan; Yang, Qianqian; Ge, Yan; Tang, Jinkui; Qi, Zhenhui","Magnetic investigation in di- and tetranuclear lanthanide complexes","New Journal of Chemistry","2021","45","4","2200","2207","10.1039/D0NJ04247A","","","1.54178","CuKα","","0.1587","0.1185","","","0.2509","0.2773","","","","","","1.119","","","","has coordinates,has disorder","261738","2021-02-04","23:27:22",""
"7060173","13.8109","0.0008","14.5458","0.0008","18.5543","0.001","85.497","0.003","79.19","0.003","75.155","0.003","3537.2","0.3","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H69 Dy2 N11 O17 S4 -","- C62 H63 Dy2 N11 O17 S4 -","- C124 H126 Dy4 N22 O34 S8 -","2","1","","Wu, Jianfeng; Liu, Dan; Yang, Qianqian; Ge, Yan; Tang, Jinkui; Qi, Zhenhui","Magnetic investigation in di- and tetranuclear lanthanide complexes","New Journal of Chemistry","2021","45","4","2200","2207","10.1039/D0NJ04247A","","","1.54178","CuKα","","0.1183","0.0976","","","0.2168","0.2307","","","","","","1.054","","","","has coordinates,has disorder","261738","2021-02-04","23:27:22",""
"7060174","12.567","0.003","14.56","0.003","18.343","0.005","90","","104.458","0.008","90","","3250","1.4","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C144 H152 N8 O32 -","8","2","","Li, Shasha; Zeng, Gongruixue; Xing, Xiaoqi; Yang, Zhiheng; Ma, Feiyun; Li, Boxia; Cheng, Weiyan; Zhang, Jiankang; He, Ruoyu","Synthesis of C3-alkenylated 2,3,4-trisubstituted pyrrole derivatives through cyclization of methylene isocyanides and ene‒yne‒ketones","New Journal of Chemistry","2021","45","4","1834","1837","10.1039/D0NJ05253A","","","0.71073","MoKα","","0.0603","0.0486","","","0.1159","0.1244","","","","","","1.048","","","","has coordinates,has disorder","261736","2021-02-04","23:27:04",""
"7060175","12.8475","0.0015","13.2526","0.0018","29.65","0.004","90","","102.492","0.005","90","","4928.8","1.1","170","2","170","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C216 H228 N12 O48 -","12","6","","Li, Shasha; Zeng, Gongruixue; Xing, Xiaoqi; Yang, Zhiheng; Ma, Feiyun; Li, Boxia; Cheng, Weiyan; Zhang, Jiankang; He, Ruoyu","Synthesis of C3-alkenylated 2,3,4-trisubstituted pyrrole derivatives through cyclization of methylene isocyanides and ene‒yne‒ketones","New Journal of Chemistry","2021","45","4","1834","1837","10.1039/D0NJ05253A","","","0.71073","MoKα","","0.099","0.0663","","","0.1595","0.187","","","","","","1.035","","","","has coordinates,has disorder","261736","2021-02-04","23:27:04",""
"7060176","7.7292","0.0005","14.6301","0.001","16.7639","0.0008","113.404","0.006","92.846","0.005","96.827","0.006","1717.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N5 O8 -","- C40 H32 N5 O8 -","- C80 H64 N10 O16 -","2","1","","Liu, Lixin; Liu, Moqi; Zhang, Yunan; Yin, Hemei; Su, Xin; Zhang, Qiang; Feng, Yanru; Guo, Yingxue; Zou, Dongyu; Liu, Yingli","The role of 3-OH in the self-assembly of pharmaceutical cocrystals of dihydroflavonol with 4,4′-bipyridine","New Journal of Chemistry","2021","45","3","1626","1633","10.1039/D0NJ04113K","","","0.71073","MoKα","","0.1495","0.0702","","","0.1352","0.168","","","","","","1.057","","","","has coordinates,has disorder","261752","2021-02-04","23:29:25",""
"7060177","8.6073","0.0004","8.4846","0.0004","34.8953","0.0014","90","","96.014","0.004","90","","2534.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H48 N6 O14 -","- C60 H48 N6 O14 -","- C120 H96 N12 O28 -","2","1","","Liu, Lixin; Liu, Moqi; Zhang, Yunan; Yin, Hemei; Su, Xin; Zhang, Qiang; Feng, Yanru; Guo, Yingxue; Zou, Dongyu; Liu, Yingli","The role of 3-OH in the self-assembly of pharmaceutical cocrystals of dihydroflavonol with 4,4′-bipyridine","New Journal of Chemistry","2021","45","3","1626","1633","10.1039/D0NJ04113K","","","0.71073","MoKα","","0.0901","0.0565","","","0.1161","0.1304","","","","","","1.041","","","","has coordinates,has disorder","261752","2021-02-04","23:29:25",""
"7060181","9.1318","0.0002","13.1042","0.0003","17.6741","0.0003","90","","103.849","0.002","90","","2053.49","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H68 Al2 N4 -","- C40 H68 Al2 N4 -","- C80 H136 Al4 N8 -","2","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0365","0.0337","","","0.091","0.0936","","","","","","1.036","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060182","29.8017","0.0005","18.1453","0.0004","15.8102","0.0003","90","","90","","90","","8549.5","0.3","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C41 H68 Al2 N6 -","- C41 H68 Al2 N6 -","- C328 H544 Al16 N48 -","8","1","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0513","0.0415","","","0.11","0.1167","","","","","","1.037","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060183","9.5939","0.0003","10.3764","0.0003","12.9532","0.0004","75.031","0.003","75.198","0.003","64.216","0.003","1106.42","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Al2 I4 N4 -","- C36 H56 Al2 I4 N4 -","- C36 H56 Al2 I4 N4 -","1","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.031","0.029","","","0.0789","0.0805","","","","","","1.053","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060184","9.79107","0.00015","15.9345","0.0002","13.7124","0.0003","90","","93.7704","0.0016","90","","2134.72","0.06","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 Al2 N4 -","- C42 H72 Al2 N4 -","- C84 H144 Al4 N8 -","2","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0383","0.0349","","","0.0925","0.0962","","","","","","1.046","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060185","10.1444","0.0002","15.281","0.0004","14.1282","0.0004","90","","91.173","0.002","90","","2189.65","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 Al2 N6 -","- C42 H70 Al2 N6 -","- C84 H140 Al4 N12 -","2","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0392","0.0356","","","0.0935","0.0969","","","","","","1.035","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060186","9.8164","0.0002","14.8423","0.0002","14.3275","0.0003","90","","96.659","0.002","90","","2073.4","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H66 Al2 N6 -","- C40 H66 Al2 N6 -","- C80 H132 Al4 N12 -","2","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0422","0.0355","","","0.0918","0.0961","","","","","","1.046","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060187","17.8904","0.0002","15.60507","0.00014","16.45733","0.00019","90","","101.73","0.0012","90","","4498.61","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 Al2 Cl4 N4 -","- C42 H60 Al2 Cl4 N4 -","- C168 H240 Al8 Cl16 N16 -","4","1","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0344","0.0296","","","0.0771","0.0801","","","","","","1.038","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060188","10.1421","0.0002","16.2451","0.0003","13.8772","0.0003","90","","95.334","0.002","90","","2276.5","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Al2 I4 N4 -","- C38 H60 Al2 I4 N4 -","- C76 H120 Al4 I8 N8 -","2","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0292","0.0251","","","0.0589","0.0606","","","","","","1.024","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060189","10.2273","0.0002","13.8795","0.0003","17.1873","0.0004","66.377","0.002","86.7647","0.0019","87.4261","0.0019","2231.06","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 Al2 I4 N4 -","- C37 H58 Al2 I4 N4 -","- C74 H116 Al4 I8 N8 -","2","1","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0396","0.0341","","","0.0853","0.09","","","","","","1.037","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060190","9.4936","0.0003","16.5995","0.0004","18.3183","0.0005","63.478","0.003","85.19","0.003","89.826","0.003","2571.95","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 Al2 I4 N4 -","- C42 H60 Al2 I4 N4 -","- C84 H120 Al4 I8 N8 -","2","1","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","0.71073","MoKα","","0.0335","0.0296","","","0.0844","0.0854","","","","","","1.03","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060191","17.8187","0.0003","17.3288","0.0002","16.6003","0.0003","90","","90","","90","","5125.79","0.14","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C37 H56 Al2 I4 N6 -","- C37 H56 Al2 I4 N6 -","- C148 H224 Al8 I16 N24 -","4","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.39222","CuKβ","","0.0269","0.0256","","","0.0668","0.0678","","","","","","1.052","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060192","9.142","0.002","9.455","0.002","11.142","0.003","104.291","0.004","107.472","0.004","91.291","0.004","885.3","0.4","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N O4 Sn -","- C17 H19 N O4 Sn -","- C34 H38 N2 O8 Sn2 -","2","1","","Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.","Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells","New Journal of Chemistry","2021","45","2","1020","1028","10.1039/D0NJ05069E","","","0.71073","MoKα","","0.0367","0.0327","","","0.0778","0.0808","","","","","","1.051","","","","has coordinates","261742","2021-02-04","23:28:03",""
"7060193","8.942","0.002","10.955","0.002","11.156","0.003","118.128","0.004","98.558","0.004","105.645","0.004","877.7","0.4","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N O4 Sn -","- C17 H19 N O4 Sn -","- C34 H38 N2 O8 Sn2 -","2","1","","Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.","Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells","New Journal of Chemistry","2021","45","2","1020","1028","10.1039/D0NJ05069E","","","0.71073","MoKα","","0.0494","0.0393","","","0.092","0.0991","","","","","","1.001","","","","has coordinates","261742","2021-02-04","23:28:03",""
"7060194","11.6366","0.0011","11.8098","0.0011","25.255","0.002","90","","90","","90","","3470.7","0.5","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O4 Sn -","- C17 H19 N O4 Sn -","- C136 H152 N8 O32 Sn8 -","8","1","","Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.","Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells","New Journal of Chemistry","2021","45","2","1020","1028","10.1039/D0NJ05069E","","","0.71073","MoKα","","0.0553","0.0389","","","0.094","0.1068","","","","","","1.081","","","","has coordinates","261742","2021-02-04","23:28:03",""
"7060195","7.2969","0.0006","10.3968","0.0008","19.3079","0.0012","90","","90","","90","","1464.78","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 Sn -","- C15 H15 N O3 Sn -","- C60 H60 N4 O12 Sn4 -","4","1","","Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.","Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells","New Journal of Chemistry","2021","45","2","1020","1028","10.1039/D0NJ05069E","","","0.71073","MoKα","","0.0141","0.0136","","","0.0336","0.0339","","","","","","1.072","","","","has coordinates","261742","2021-02-04","23:28:03",""
"7060196","6.2298","0.0003","8.0256","0.0004","8.9101","0.0004","105.478","0.004","101.298","0.004","97.248","0.004","413.44","0.04","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","poly[m~2~-aqua-(m~3~-methoxy-tricyanoborato-k^3^N:N':N'')sodium(I)]","","- C4 H5 B N3 Na O2 -","- C4 H5 B N3 Na O2 -","- C8 H10 B2 N6 Na2 O4 -","2","1","","Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik","Alkoxycyanoborates: metal salts and low-viscosity ionic liquids","New Journal of Chemistry","2021","45","33","14973","14987","10.1039/D0NJ04950F","","","0.71073","MoKα","","0.0357","0.03","","","0.0637","0.0651","","","","","","1.025","","","","has coordinates","268877","2021-09-06","12:06:14",""
"7060197","15.4584","0.0002","7.7624","0.0001","15.2266","0.0002","90","","99.787","0.001","90","","1800.51","0.04","100","2","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 B2 F6 N6 Na2 O3 -","- C10 H6 B2 F6 N6 Na2 O3 -","- C40 H24 B8 F24 N24 Na8 O12 -","4","0.5","","Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik","Alkoxycyanoborates: metal salts and low-viscosity ionic liquids","New Journal of Chemistry","2021","45","33","14973","14987","10.1039/D0NJ04950F","","x-ray","1.54184","CuKα","","0.0303","0.0289","","","0.0786","0.0798","","","","","","1.004","","","","has coordinates","268877","2021-09-06","12:06:15",""
"7060198","7.3884","0.0002","7.7824","0.0002","8.0923","0.0001","82.094","0.002","71.472","0.002","63.968","0.002","396.426","0.018","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C5 H5 B N3 Na O -","- C5 H5 B N3 Na O -","- C10 H10 B2 N6 Na2 O2 -","2","1","","Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik","Alkoxycyanoborates: metal salts and low-viscosity ionic liquids","New Journal of Chemistry","2021","45","33","14973","14987","10.1039/D0NJ04950F","","x-ray","1.54184","CuKα","","0.0298","0.0289","","","0.0756","0.0764","","","","","","1.072","","","","has coordinates","268877","2021-09-06","12:06:15",""
"7060199","5.9444","0.0001","17.4508","0.0002","7.4613","0.0001","90","","96.637","0.001","90","","768.807","0.019","100","2","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C4 H5 B Li N3 O2 -","- C4 H5 B Li N3 O2 -","- C16 H20 B4 Li4 N12 O8 -","4","1","","Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik","Alkoxycyanoborates: metal salts and low-viscosity ionic liquids","New Journal of Chemistry","2021","45","33","14973","14987","10.1039/D0NJ04950F","","x-ray","1.54184","CuKα","","0.0221","0.022","","","0.061","0.061","","","","","","1.062","","","","has coordinates","268877","2021-09-06","12:06:15",""
"7060200","13.8805","0.0002","7.5052","0.0001","15.3649","0.0002","90","","95.168","0.001","90","","1594.15","0.04","100","2","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H3 B K N3 O -","- C4 H3 B K N3 O -","- C32 H24 B8 K8 N24 O8 -","8","1","","Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik","Alkoxycyanoborates: metal salts and low-viscosity ionic liquids","New Journal of Chemistry","2021","45","33","14973","14987","10.1039/D0NJ04950F","","x-ray","1.54184","CuKα","","0.0253","0.0251","","","0.0686","0.0687","","","","","","1.018","","","","has coordinates","268877","2021-09-06","12:06:15",""
"7060201","9.6262","0.001","12.6518","0.0013","13.3053","0.0014","87.69","0.004","81.189","0.004","80.098","0.004","1577.3","0.3","300","2","300","2","","","","","","","","3","P 1","P 1","1","NMePhPh","4,5-bisphenylethynyl-1methylimidazole","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","4","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.0717","0.0591","","","0.1521","0.175","","","","","","0.79","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060202","9.541","0.0016","5.0337","0.0009","21.921","0.004","90","","99.137","0.005","90","","1039.4","0.3","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","NMePhCHO_TFA","4-phenylethynyl-5-(4-formylphenylethynyl)-1-methylimidazolium trifluoroacetate","","- C23 H15 F3 N2 O3 -","- C23 H15 F3 N2 O3 -","- C46 H30 F6 N4 O6 -","2","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.082","0.0573","","","0.1529","0.1783","","","","","","0.997","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060203","12.8968","0.0008","14.4328","0.0009","14.7466","0.001","91.829","0.002","115.533","0.002","92.604","0.002","2470.2","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","NMeOMeCHO","4-(4-methoxyphenylethynyl)-5-(4-formylphenylethynyl)-1-methylimidazolium trifluoroacetate","","- C50 H35 F9 N4 O10 -","- C50 H34 F9 N4 O10 -","- C100 H68 F18 N8 O20 -","2","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.1502","0.0757","","","0.1972","0.2456","","","","","","1.224","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060204","10.8306","0.0003","16.0766","0.0005","11.0441","0.0003","90","","119.237","0.001","90","","1678.01","0.09","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-phenyl-5-(4-formylphenylethynyl)-1-methylimidazole","","- C21 H14 N2 O -","- C21 H14 N2 O -","- C84 H56 N8 O4 -","4","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.0532","0.0433","","","0.1214","0.1382","","","","","","0.779","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060205","21.855","0.007","5.4499","0.0015","16.896","0.005","90","","94.485","0.01","90","","2006.3","1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NMePhPh-TFA","4,5-bis(phenylethynyl)-1-methylimidazolium trifluoroacetate","","- C22 H15 F3 N2 O2 -","- C22 H15 F3 N2 O2 -","- C88 H60 F12 N8 O8 -","4","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.1298","0.0744","","","0.1948","0.24","","","","","","1.145","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060206","9.5584","0.0003","22.8679","0.0006","8.4503","0.0002","90","","106.787","0.001","90","","1768.36","0.08","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NMeCHOCHO","4,5-bis(4-formylphenylethynyl)-1-methylimidazole","","- C22 H14 N2 O2 -","- C22 H14 N2 O2 -","- C88 H56 N8 O8 -","4","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.049","0.0425","","","0.1514","0.1656","","","","","","1.454","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060207","9.332","0.0004","9.83","0.0004","11.3679","0.0005","97.151","0.002","114.146","0.001","102.008","0.002","904.73","0.07","273","2","273","2","","","","","","","","4","P -1","-P 1","2","NMeOMeCHO","4-(4-methoxyphenylethynyl)-5-(4-formylphenylethynyl)-1-methylimidazole","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C44 H32 N4 O4 -","2","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.0554","0.0482","","","0.1659","0.1766","","","","","","1.396","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060208","10.4483","0.0009","7.9356","0.0007","22.7149","0.0018","90","","95.017","0.003","90","","1876.2","0.3","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-bis(4-methoxyphenylethynyl)-1-methyl-imidazole","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.139","0.0982","","","0.2446","0.295","","","","","","1.438","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060209","8.435","0.007","15.806","0.013","8.468","0.007","90","","90","","90","","1129","1.6","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl5 H12 N3 Pb -","- Cl5 H12 N3 Pb -","- Cl20 H48 N12 Pb4 -","4","0.5","","Zhu, Liang; Jin, Wenqi; Yang, Zhihua; Yang, Yun; Pan, Shilie","The synthesis, characterization, and theoretical analysis of (NH4)3PbCl5","New Journal of Chemistry","2021","45","4","2038","2043","10.1039/D0NJ05771A","","","0.71073","MoKα","","0.0326","0.0262","","","0.0682","0.0712","","","","","","1.135","","","","has coordinates","261734","2021-02-04","23:26:51",""
"7060210","8.6466","0.0003","7.0684","0.0003","11.6275","0.0005","90","","94.936","0.004","90","","708.01","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C36 H24 S4 -","2","0.5","","Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun","Multichannel transport in conjugated polymers based on through-space conjugated naphthalene","New Journal of Chemistry","2021","45","4","1795","1799","10.1039/D0NJ05800A","","x-ray","1.54184","CuKα","","0.0607","0.0544","","","0.1288","0.1411","","","","","","1.124","","","","has coordinates,has disorder","261732","2021-02-04","23:26:17",""
"7060211","8.1911","0.0001","15.514","0.0001","14.1816","0.0002","90","","90","","90","","1802.15","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 O4 S2 -","- C22 H16 O4 S2 -","- C88 H64 O16 S8 -","4","1","","Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun","Multichannel transport in conjugated polymers based on through-space conjugated naphthalene","New Journal of Chemistry","2021","45","4","1795","1799","10.1039/D0NJ05800A","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.0586","0.0588","","","","","","1.03","","","","has coordinates","261732","2021-02-04","23:26:17",""
"7060212","5.9263","0.0001","18.9112","0.0002","24.8642","0.0003","90","","90","","90","","2786.62","0.06","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C144 H96 S16 -","8","2","","Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun","Multichannel transport in conjugated polymers based on through-space conjugated naphthalene","New Journal of Chemistry","2021","45","4","1795","1799","10.1039/D0NJ05800A","","x-ray","1.54184","CuKα","","0.0576","0.0559","","","0.1674","0.1695","","","","","","1.108","","","","has coordinates,has disorder","261732","2021-02-04","23:26:17",""
"7060213","10.9084","0.0002","10.59026","0.00018","12.3593","0.0003","90","","104.253","0.002","90","","1383.83","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C72 H48 S8 -","4","1","","Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun","Multichannel transport in conjugated polymers based on through-space conjugated naphthalene","New Journal of Chemistry","2021","45","4","1795","1799","10.1039/D0NJ05800A","","x-ray","1.54184","CuKα","","0.032","0.0286","","","0.0794","0.0824","","","","","","1.074","","","","has coordinates","261732","2021-02-04","23:26:17",""
"7060214","11.7498","0.0003","14.6319","0.0004","14.6998","0.0004","90","","100.583","0.001","90","","2484.23","0.12","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu Er N5 O13 -","- C20 H22 Cu Er N5 O13 -","- C80 H88 Cu4 Er4 N20 O52 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","x-ray","0.71073","MoKα","","0.0257","0.0194","","","0.0412","0.0436","","","","","","1.066","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060215","12.11","0.005","23.722","0.005","11.489","0.005","90","0.005","112.009","0.005","90","0.005","3060","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N4 O13 Pr Zn -","- C23 H28 N4 O13 Pr Zn -","- C92 H112 N16 O52 Pr4 Zn4 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.0935","0.0663","","","0.1167","0.129","","","","","","1.22","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060216","12.014","0.005","23.693","0.005","11.509","0.005","90","0.005","111.885","0.005","90","0.005","3039.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N4 Nd O13 Zn -","- C23 H28 N4 Nd O13 Zn -","- C92 H112 N16 Nd4 O52 Zn4 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.1304","0.0809","","","0.1809","0.2227","","","","","","1.049","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060217","17.832","0.003","15.148","0.002","20.585","0.003","90","","102.116","0.001","90","","5436.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Dy2 N8 O24 Zn2 -","- C44 H50 Dy2 N8 O24 Zn2 -","- C176 H200 Dy8 N32 O96 Zn8 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.0401","0.0359","","","0.0886","0.0935","","","","","","1.059","","","","has coordinates","262684","2021-03-05","02:17:38",""
"7060218","11.436","0.005","23.8","0.005","11.895","0.005","90","","111.805","0.005","90","","3005.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 N4 O13 Sm Zn -","- C23 H28 N4 O13 Sm Zn -","- C92 H112 N16 O52 Sm4 Zn4 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.1539","0.1067","","","0.1944","0.2177","","","","","","1.166","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060219","17.803","0.002","15.1306","0.0019","20.604","0.003","90","","102.025","0.002","90","","5428.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Er2 N8 O24 Zn2 -","- C44 H52 Er2 N8 O24 Zn2 -","- C176 H208 Er8 N32 O96 Zn8 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.032","0.0274","","","0.0677","0.0705","","","","","","1.061","","","","has coordinates","262684","2021-03-05","02:17:38",""
"7060220","11.8416","0.0013","14.6648","0.0016","14.8379","0.0017","90","","101.178","0.004","90","","2527.8","0.5","110","","110.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu N5 O13 Pr -","- C20 H22 Cu N5 O13 Pr -","- C80 H88 Cu4 N20 O52 Pr4 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","x-ray","0.71073","MoKα","","0.0403","0.0325","","","0.0734","0.0799","","","","","","1.054","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060221","11.7752","0.0005","14.6236","0.0006","14.7256","0.0006","90","","100.653","0.002","90","","2491.98","0.18","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu Dy N5 O13 -","- C20 H22 Cu Dy N5 O13 -","- C80 H88 Cu4 Dy4 N20 O52 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.0265","0.0244","","","0.0526","0.0537","","","","","","1.221","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060222","11.8049","0.0009","14.7","0.0011","14.8759","0.0012","90","","100.951","0.003","90","","2534.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu N5 Nd O13 -","- C20 H22 Cu N5 Nd O13 -","- C80 H88 Cu4 N20 Nd4 O52 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.0463","0.0291","","","0.0588","0.0664","","","","","","1.092","","","","has coordinates","262684","2021-03-05","02:17:38",""
"7060223","11.8697","0.0011","14.6939","0.001","14.8613","0.0014","90","","101.23","0.004","90","","2542.4","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu N5 O13 Sm -","- C20 H22 Cu N5 O13 Sm -","- C80 H88 Cu4 N20 O52 Sm4 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.0415","0.03","","","0.0646","0.0705","","","","","","1.03","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060224","8.0335","0.0007","8.3743","0.0008","10.4076","0.001","104.296","0.009","104.67","0.008","105.419","0.008","614.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Cl2 N2 O16 -","- C18 H30 Cl2 N2 O16 -","- C18 H30 Cl2 N2 O16 -","1","0.5","","Giorgi, Luca; Ambrosi, Gianluca; Paderni, Daniele; Conti, Luca; Amatori, Stefano; Romagnoli, Francesca; Rossi, Patrizia; Formica, Mauro; Macedi, Eleonora; Giorgi, Claudia; Paoli, Paola; Fanelli, Mirco; Fusi, Vieri","Bis-maltol-polyamine family: structural modifications at strategic positions. Synthesis, coordination and antineoplastic activity of two new ligands","New Journal of Chemistry","2021","45","5","2659","2669","10.1039/D0NJ05327A","","","0.71073","MoKα","","0.0606","0.0505","","","0.1325","0.1371","","","","","","1.188","","","","has coordinates","262678","2021-03-05","02:16:00",""
"7060225","12.343","0.002","14.617","0.003","18.348","0.003","81.497","0.009","89.659","0.008","89.249","0.009","3273.6","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18.5 N Ni O7.75 -","- C15 H17 N Ni O7.75 -","- C120 H136 N8 Ni8 O62 -","8","4","","Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Mudi, Prafullya Kumar; Biswas, Bhaskar; Weyhermüller, Thomas; Ghosh, Prasanta","Nickel(ii) di-aqua complex containing a water cluster: synthesis, X-ray structure and catecholase activity","New Journal of Chemistry","2021","45","4","2221","2227","10.1039/D0NJ05238H","","","1.54178","CuKα","","0.0701","0.0643","","","0.1538","0.1572","","","","","","1.101","","","","has coordinates","261735","2021-02-04","23:26:56",""
"7060226","12.3202","0.0002","15.2533","0.0003","20.1701","0.0004","88.56","0.001","74.88","0.001","76.917","0.001","3561.92","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H51 Cl6 Dy N3 O12 P3 -","- C72 H51 Cl6 Dy N3 O12 P3 -","- C144 H102 Cl12 Dy2 N6 O24 P6 -","2","1","","Zhang, Chunyang; Liu, Mengyao; Cai, Xingwei; Chen, Lei; Liu, Yuan-Zhong; Cui, Huihui; Zhang, Shao-Liang; Yuan, Aihua","Observation of field-induced single-ion magnet behavior in an octahedral dysprosium complex with a strong ligand field","New Journal of Chemistry","2021","45","5","2404","2409","10.1039/D0NJ05398H","","","0.71073","MoKα","","0.0906","0.0462","","","0.0864","0.1018","","","","","","0.911","","","","has coordinates","262677","2021-03-05","02:15:55",""
"7060257","10.8838","0.0004","11.2775","0.0004","13.4147","0.0005","99.504","0.001","105.864","0.001","105.718","0.001","1472.87","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl2 Cu N5 O9 -","- C27 H27 Cl2 Cu N5 O9 -","- C54 H54 Cl4 Cu2 N10 O18 -","2","1","","Agarwal, Pratibha; Kumar, Akhilesh; Richa,; Verma, Indresh; Erande, Rohan D.; Kłak, Julia; Mota, Antonio J.; Arora, Himanshu; Rajput, Amit","The reversible inter-conversion of copper(ii) dimers bearing phenolate-based ligands in their monomers: theoretical and experimental viewpoints","New Journal of Chemistry","2021","45","3","1203","1215","10.1039/D0NJ00484G","","","0.71073","MoKα","","0.0515","0.0394","","","0.1023","0.1197","","","","","","1.145","","","","has coordinates","261749","2021-02-04","23:29:03",""
"7060258","15.0585","0.0008","13.6007","0.0007","22.7597","0.0012","90","","99.915","0.002","90","","4591.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H43 Cl2 Cu2 N7 O10 -","- C48 H43 Cl2 Cu2 N7 O10 -","- C192 H172 Cl8 Cu8 N28 O40 -","4","1","","Agarwal, Pratibha; Kumar, Akhilesh; Richa,; Verma, Indresh; Erande, Rohan D.; Kłak, Julia; Mota, Antonio J.; Arora, Himanshu; Rajput, Amit","The reversible inter-conversion of copper(ii) dimers bearing phenolate-based ligands in their monomers: theoretical and experimental viewpoints","New Journal of Chemistry","2021","45","3","1203","1215","10.1039/D0NJ00484G","","","0.71073","MoKα","","0.0637","0.0439","","","0.0997","0.1119","","","","","","1.064","","","","has coordinates","261749","2021-02-04","23:29:03",""
"7060259","17.5941","0.0009","12.3401","0.0007","12.9129","0.0007","90","","100.26","0.002","90","","2758.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl2 Cu N5 O9 -","- C24 H25 Cl2 Cu N5 O9 -","- C96 H100 Cl8 Cu4 N20 O36 -","4","1","","Agarwal, Pratibha; Kumar, Akhilesh; Richa,; Verma, Indresh; Erande, Rohan D.; Kłak, Julia; Mota, Antonio J.; Arora, Himanshu; Rajput, Amit","The reversible inter-conversion of copper(ii) dimers bearing phenolate-based ligands in their monomers: theoretical and experimental viewpoints","New Journal of Chemistry","2021","45","3","1203","1215","10.1039/D0NJ00484G","","","0.71073","MoKα","","0.0919","0.0675","","","0.1159","0.1255","","","","","","1.161","","","","has coordinates","261749","2021-02-04","23:29:03",""
"7060260","12.543","0.002","14.391","0.003","14.081","0.003","90","","108.768","0.005","90","","2406.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cl2 Cu2 N10 O10 -","- C48 H48 Cl2 Cu2 N10 O10 -","- C96 H96 Cl4 Cu4 N20 O20 -","2","0.5","","Agarwal, Pratibha; Kumar, Akhilesh; Richa,; Verma, Indresh; Erande, Rohan D.; Kłak, Julia; Mota, Antonio J.; Arora, Himanshu; Rajput, Amit","The reversible inter-conversion of copper(ii) dimers bearing phenolate-based ligands in their monomers: theoretical and experimental viewpoints","New Journal of Chemistry","2021","45","3","1203","1215","10.1039/D0NJ00484G","","","0.71073","MoKα","","0.1792","0.0889","","","0.2026","0.2627","","","","","","1.027","","","","has coordinates","261749","2021-02-04","23:29:03",""
"7060261","9.274","0.005","10.062","0.006","11.598","0.005","90","","126.54","0.03","90","","869.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B6 F2 K Na O9 -","- B6 F2 K Na O9 -","- B24 F8 K4 Na4 O36 -","4","1","","Chen, Zilong; Feng, Junwei; Dai, Bin; Yu, Feng","NaKB6O9F2: a new complex alkali metal fluorooxoborate with puckered layers","New Journal of Chemistry","2021","45","6","2974","2980","10.1039/D0NJ05124A","","","0.71073","MoKα","","0.0483","0.0345","","","0.0803","0.0884","","","","","","1.053","","","","has coordinates","262692","2021-03-05","02:19:38",""
"7060262","6.9795","0.0008","9.9569","0.0011","14.5673","0.0017","108.531","0.002","92.161","0.003","97.846","0.003","947.32","0.19","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O -","- C22 H24 N4 O -","- C44 H48 N8 O2 -","2","1","","Zaitseva, Elvira R.; Smirnov, Alexander Yu.; Myasnyanko, Ivan N.; Mineev, Konstantin S.; Sokolov, Anatolii I.; Volkhina, Tatyana N.; Mikhaylov, Andrey A.; Baleeva, Nadezhda S.; Baranov, Mikhail S.","Imidazol-5-ones as a substrate for [1,5]-hydride shift triggered cyclization","New Journal of Chemistry","2021","45","4","1805","1808","10.1039/D0NJ05738J","","","0.71073","MoKα","","0.0981","0.0523","","","0.1034","0.1227","","","","","","0.995","","","","has coordinates","261729","2021-02-04","23:25:54",""
"7060263","16.3814","0.0006","11.6206","0.0005","8.1169","0.0003","90","","102.453","0.002","90","","1508.79","0.1","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C64 H64 N8 O24 -","4","0.5","","Trannoy, Virgile; Léaustic, Anne; Gadan, Sophie; Guillot, Régis; Allain, Clémence; Clavier, Gilles; Mazerat, Sandra; Geffroy, Bernard; Yu, Pei","A highly efficient solution and solid state ESIPT fluorophore and its OLED application","New Journal of Chemistry","2021","45","6","3014","3021","10.1039/D0NJ05600F","","x-ray","0.71073","MoKα","","0.0597","0.0415","","","0.1122","0.1249","","","","","","1.06","","","","has coordinates","262686","2021-03-05","02:18:11",""
"7060264","10.567","0.004","14.026","0.006","14.576","0.007","63.574","0.009","80.575","0.009","85.045","0.009","1908.3","1.4","296","2","296.35","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H47 Cl4.83 N6 O4 Zn2.91 -","- C31 H47 Cl4.8298 N6 O4 Zn2.9149 -","- C62 H94 Cl9.6596 N12 O8 Zn5.8298 -","2","1","","Chakraborty, Tonmoy; Mukherjee, Somali; Parveen, Rumana; Chandra, Arpita; Samanta, Debabrata; Das, Debasis","A combined experimental and theoretical rationalization of an unusual zinc(ii)-mediated conversion of 18-membered Schiff-base macrocycles to 18-membered imine‒amine macrocycles with imidazolidine side rings: an investigation of their bio-relevant catalytic activities","New Journal of Chemistry","2021","45","5","2550","2562","10.1039/D0NJ05635A","","","0.71073","MoKα","","0.057","0.0394","","","0.104","0.1127","","","","","","1.038","","","","has coordinates,has disorder","262680","2021-03-05","02:16:46",""
"7060265","10.728","0.006","14.28","0.007","14.804","0.007","63.783","0.009","81.07","0.009","84.834","0.009","2009.4","1.8","296","2","295.77","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H47 Br4.89 N6 O4 Zn2.95 -","- C31 H47 Br4.89 N6 O4 Zn2.945 -","- C62 H94 Br9.78 N12 O8 Zn5.89 -","2","1","","Chakraborty, Tonmoy; Mukherjee, Somali; Parveen, Rumana; Chandra, Arpita; Samanta, Debabrata; Das, Debasis","A combined experimental and theoretical rationalization of an unusual zinc(ii)-mediated conversion of 18-membered Schiff-base macrocycles to 18-membered imine‒amine macrocycles with imidazolidine side rings: an investigation of their bio-relevant catalytic activities","New Journal of Chemistry","2021","45","5","2550","2562","10.1039/D0NJ05635A","","","0.71073","MoKα","","0.0891","0.0631","","","0.1487","0.1708","","","","","","1.121","","","","has coordinates,has disorder","262680","2021-03-05","02:16:49",""
"7060266","15.7632","0.0016","6.4133","0.0006","46.61","0.004","90","","90","","90","","4712","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H29 N3 O3 S2 -","- C24 H29 N3 O3 S2 -","- C192 H232 N24 O24 S16 -","8","2","","Du, Rongkai; Xu, Juan; Li, Jing; Zhang, Lei; Ning, Lifeng; Li, Shan","Pharmaceutical salt and salt hydrates of vortioxetine with sulfonic acid to ameliorate the solubility and hygroscopicity via the charge-assisted hydrogen bond assembly","New Journal of Chemistry","2021","45","3","1474","1481","10.1039/D0NJ05052K","","x-ray","0.71073","MoKα","","0.1292","0.0853","","","0.16","0.1854","","","","","","1.042","","","","has coordinates","261746","2021-02-04","23:28:39",""
"7060267","6.3667","0.0004","17.6099","0.0015","23.2688","0.0015","71.121","0.007","86.114","0.005","87.188","0.006","2461.8","0.3","373","0.3","373","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 N2 O3 S2 -","- C25 H30 N2 O3 S2 -","- C100 H120 N8 O12 S8 -","4","2","","Du, Rongkai; Xu, Juan; Li, Jing; Zhang, Lei; Ning, Lifeng; Li, Shan","Pharmaceutical salt and salt hydrates of vortioxetine with sulfonic acid to ameliorate the solubility and hygroscopicity via the charge-assisted hydrogen bond assembly","New Journal of Chemistry","2021","45","3","1474","1481","10.1039/D0NJ05052K","","x-ray","0.71073","MoKα","","0.268","0.1815","","","0.4551","0.5054","","","","","","1.393","","","","has coordinates","261746","2021-02-04","23:28:39",""
"7060268","17.9047","0.0013","6.402","0.0004","23.403","0.002","90","","110.612","0.009","90","","2510.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N2 O4 S2 -","- C25 H32 N2 O4 S2 -","- C100 H128 N8 O16 S8 -","4","1","","Du, Rongkai; Xu, Juan; Li, Jing; Zhang, Lei; Ning, Lifeng; Li, Shan","Pharmaceutical salt and salt hydrates of vortioxetine with sulfonic acid to ameliorate the solubility and hygroscopicity via the charge-assisted hydrogen bond assembly","New Journal of Chemistry","2021","45","3","1474","1481","10.1039/D0NJ05052K","","x-ray","0.71073","MoKα","","0.076","0.0487","","","0.1066","0.1213","","","","","","1.02","","","","has coordinates","261746","2021-02-04","23:28:39",""
"7060269","7.7358","0.0005","12.5412","0.0008","13.7109","0.0008","94.929","0.005","98.64","0.005","104.714","0.005","1261.2","0.14","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 N2 O7 S2 -","- C25 H30 N2 O7 S2 -","- C50 H60 N4 O14 S4 -","2","1","","Du, Rongkai; Xu, Juan; Li, Jing; Zhang, Lei; Ning, Lifeng; Li, Shan","Pharmaceutical salt and salt hydrates of vortioxetine with sulfonic acid to ameliorate the solubility and hygroscopicity via the charge-assisted hydrogen bond assembly","New Journal of Chemistry","2021","45","3","1474","1481","10.1039/D0NJ05052K","","x-ray","0.71073","MoKα","","0.0542","0.0394","","","0.0953","0.1035","","","","","","1.031","","","","has coordinates","261746","2021-02-04","23:28:39",""
"7060270","25.646","0.005","20.99","0.005","16.79","0.004","90","","122.595","0.005","90","","7615","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H104 Cl2 N24 O28 -","- C52 H68 Cl2 N24 O14 -","- C208 H272 Cl8 N96 O56 -","4","0.5","","Cao, Long; Guo, Han-Ling; Lin, Rui-Lian; Zhang, Zhi-Hua; Tian, Li-Fei; Liu, Jing-Xin; Tao, Zhu","Separation of phenylenediamine isomers by using decamethylcucurbit[5]uril","New Journal of Chemistry","2021","45","5","2754","2759","10.1039/D0NJ05999D","","","0.71073","MoKα","","0.1333","0.1131","","","0.3444","0.3766","","","","","","1.003","","","","has coordinates","262675","2021-03-05","02:15:28",""
"7060271","23.109","0.008","19.254","0.008","17.607","0.006","90","","93.46","0.013","90","","7820","5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H88 Cl2 N24 O20 -","- C52 H68 N24 O10 -","- C208 H272 N96 O40 -","4","0.5","","Cao, Long; Guo, Han-Ling; Lin, Rui-Lian; Zhang, Zhi-Hua; Tian, Li-Fei; Liu, Jing-Xin; Tao, Zhu","Separation of phenylenediamine isomers by using decamethylcucurbit[5]uril","New Journal of Chemistry","2021","45","5","2754","2759","10.1039/D0NJ05999D","","","0.71073","MoKα","","0.1066","0.0774","","","0.2368","0.2605","","","","","","1.004","","","","has coordinates","262675","2021-03-05","02:15:28",""
"7060272","5.7481","0.0006","5.842","0.0007","9.9504","0.0011","90","","91.39","0.005","90","","334.04","0.06","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H6 N4 O4 -","- C3 H6 N4 O4 -","- C6 H12 N8 O8 -","2","0.5","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","1.54178","CuKα","","0.0377","0.0356","","","0.1017","0.1045","","","","","","1.146","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060273","24.1038","0.001","5.006","0.0002","15.4562","0.0007","90","","108.365","0.003","90","","1770.01","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N8 O3 -","- C4 H6 N8 O3 -","- C32 H48 N64 O24 -","8","2","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","1.54178","CuKα","","0.0343","0.029","","","0.0734","0.0774","","","","","","1.033","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060274","19.5213","0.0006","5.1844","0.0001","14.8287","0.0005","90","","104.686","0.0011","90","","1451.73","0.07","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H6 Cl N3 O5 -","- C3 H6 Cl N3 O5 -","- C24 H48 Cl8 N24 O40 -","8","1","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","0.71073","MoKα","","0.0289","0.0253","","","0.068","0.0706","","","","","","1.046","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060275","6.1158","0.0007","9.1928","0.0009","9.3984","0.001","90","","90","","90","","528.39","0.1","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H4 N4 O2 -","- C3 H4 N4 O2 -","- C12 H16 N16 O8 -","4","0.5","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","0.71073","MoKα","","0.038","0.0342","","","0.0889","0.0913","","","","","","1.066","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060276","8.4296","0.0013","5.5977","0.0009","19.058","0.003","90","","96.392","0.01","90","","893.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 N10 O -","- C4 H6 N10 O -","- C16 H24 N40 O4 -","4","1","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","1.54178","CuKα","","0.1868","0.0915","","","0.2173","0.3006","","","","","","0.973","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060277","5.2488","0.0008","13.9673","0.0014","14.1051","0.0018","90","","90","","90","","1034.1","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 N10 O3 -","- C5 H6 N10 O3 -","- C20 H24 N40 O12 -","4","1","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","0.71073","MoKα","","0.0655","0.0401","","","0.0863","0.0967","","","","","","1.013","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060278","7.206","0.0004","9.3911","0.0005","9.4448","0.0005","71.6516","0.0019","85.772","0.002","71.196","0.002","574","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 N10 O5 -","- C6 H6 N10 O5 -","- C12 H12 N20 O10 -","2","1","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","0.71073","MoKα","","0.0754","0.0425","","","0.0921","0.1065","","","","","","1.023","","","","has coordinates,has disorder","261737","2021-02-04","23:27:16",""
"7060279","19.968","0.006","8.587","0.003","19.82","0.006","90","","92.046","0.009","90","","3396.3","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl2 F N5 O10 Sm -","- C29 H29 Cl2 F N5 O10 Sm -","- C116 H116 Cl8 F4 N20 O40 Sm4 -","4","1","","Huang, Yan; Shen, Yin-Jing; Chen, Ting-Ting; Li, Benxia; Zhang, Kun","Specific detection and determination of cysteine by a luminescent samarium macrocycle-based fluorescent probe platform","New Journal of Chemistry","2021","45","5","2366","2369","10.1039/D0NJ05392A","","","0.71073","MoKα","","0.1194","0.0894","","","0.1914","0.205","","","","","","1.086","","","","has coordinates","262681","2021-03-05","02:16:55",""
"7060280","12.9052","0.0004","12.9624","0.0003","16.0579","0.0005","97.822","0.002","103.366","0.003","91.281","0.002","2585.09","0.13","122.97","0.13","122.97","0.13","","","","","","","","10","P -1","-P 1","2","","","","- C74.7 H61.4 Ag2 As8 Cl5.4 F12 Mo8 N4 O16 P2 -","- C74.7 H61.4 Ag2 As8 Cl5.4 F12 Mo8 N4 O16 P2 -","- C74.7 H61.4 Ag2 As8 Cl5.4 F12 Mo8 N4 O16 P2 -","1","0.5","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","x-ray","1.54184","CuKα","","0.0372","0.0355","","","0.0955","0.0971","","","","","","1.05","","","","has coordinates,has disorder","261726","2021-02-04","23:25:33",""
"7060281","10.877","0.0002","13.3926","0.0002","13.6762","0.0002","100.557","0.001","111.557","0.001","100.631","0.001","1751.08","0.05","123","0.1","123","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C23 H20 Ag As2 F6 Mo2 N3 O4 P -","- C23 H20 Ag As2 F6 Mo2 N3 O4 P -","- C46 H40 Ag2 As4 F12 Mo4 N6 O8 P2 -","2","1","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","x-ray","1.39222","CuKβ","","0.035","0.0301","","","0.0718","0.0746","","","","","","1.034","","","","has coordinates,has disorder","261726","2021-02-04","23:25:35",""
"7060282","12.8682","0.0007","13.0664","0.0006","15.942","0.0008","98.621","0.004","103.144","0.004","90.062","0.004","2579.1","0.2","123","0.2","123","0.2","","","","","","","","10","P -1","-P 1","2","","","","- C37.5 H30 Ag As4 Cl3 F6 Mo4 N2 O8 P -","- C36 H27 Ag As4 F6 Mo4 N2 O8 P -","- C72 H54 Ag2 As8 F12 Mo8 N4 O16 P2 -","2","1","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","","1.54184","CuKα","","0.0373","0.0356","","","0.098","0.1","","","","","","1.025","","","","has coordinates,has disorder","261726","2021-02-04","23:25:35",""
"7060283","12.5558","0.0003","21.4306","0.0005","10.6865","0.0002","90","","101.817","0.002","90","","2814.56","0.11","123.01","0.1","123.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Ag As2 F6 Mo2 N4 O4 P -","- C22 H16 Ag As2 F6 Mo2 N4 O4 P -","- C88 H64 Ag4 As8 F24 Mo8 N16 O16 P4 -","4","1","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","x-ray","1.54184","CuKα","","0.0628","0.059","","","0.1532","0.1588","","","","","","1.056","","","","has coordinates","261726","2021-02-04","23:25:35",""
"7060284","24.8486","0.0004","18.8751","0.0003","15.5925","0.0003","90","","98.2656","0.0017","90","","7237.2","0.2","123.11","0.1","123.11","0.1","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Ag As3 Cl2 F6 Mo3 N O6 P -","- C27 H21 Ag As3 Cl2 F6 Mo3 N O6 P -","- C216 H168 Ag8 As24 Cl16 F48 Mo24 N8 O48 P8 -","8","1","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","x-ray","1.54184","CuKα","","0.0286","0.0254","","","0.0627","0.065","","","","","","1.038","","","","has coordinates,has disorder","261726","2021-02-04","23:25:35",""
"7060285","10.7861","0.0002","20.7482","0.0004","26.5944","0.0005","79.429","0.002","87.128","0.002","77.47","0.002","5710.9","0.2","122.97","0.12","122.97","0.12","","","","","","","","9","P -1","-P 1","2","","","","- C90 H80 Ag4 As8 F24 Mo8 N8 O16 P4 -","- C90 H80 Ag4 As8 F24 Mo8 N8 O16 P4 -","- C180 H160 Ag8 As16 F48 Mo16 N16 O32 P8 -","2","1","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","x-ray","1.54184","CuKα","","0.0348","0.0306","","","0.073","0.0754","","","","","","1.047","","","","has coordinates","261726","2021-02-04","23:25:35",""
"7060286","21.8025","0.001","22.095","0.001","48.236","0.002","90","","90.174","0.004","90","","23236.4","1.8","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C122.5 H109 Cu2 N10 O18 S8 -","- C120 H104 Cu2 N8 O16 S8 -","- C960 H832 Cu16 N64 O128 S64 -","8","1","","Wang, Fei-Fei; Li, Jia-Hui; Liu, Hai-Yan; Deng, Shu-Ping; Liu, Ying-Ying; Ma, Jian-Fang","Functionalized resorcin[4]arene-based coordination polymers as heterogeneous catalysts for click reactions","New Journal of Chemistry","2021","45","6","3181","3187","10.1039/D0NJ06051H","","","0.71073","MoKα","","0.2104","0.0782","","","0.1786","0.2484","","","","","","0.933","","","","has coordinates","262691","2021-03-05","02:19:32",""
"7060287","28.6962","0.0018","16.3215","0.001","20.524","0.0011","90","","90","","90","","9612.7","1","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C103 H115 Cd2 N10 O28 S4 -","- C81 H66 Cd2 N5 O19 S4 -","- C324 H264 Cd8 N20 O76 S16 -","4","1","","Wang, Fei-Fei; Li, Jia-Hui; Liu, Hai-Yan; Deng, Shu-Ping; Liu, Ying-Ying; Ma, Jian-Fang","Functionalized resorcin[4]arene-based coordination polymers as heterogeneous catalysts for click reactions","New Journal of Chemistry","2021","45","6","3181","3187","10.1039/D0NJ06051H","","","0.71073","MoKα","","0.0806","0.0527","","","0.1315","0.1467","","","","","","0.994","","","","has coordinates","262691","2021-03-05","02:19:32",""
"7060288","11.1814","0.0002","23.0432","0.0004","16.9568","0.0004","90","","107.771","0.002","90","","4160.54","0.15","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C82 H97 Cd Cl2 N9 O8 S4 -","- C60 H52 Cd Cl2 N4 O8 S4 -","- C120 H104 Cd2 Cl4 N8 O16 S8 -","2","0.5","","Wang, Fei-Fei; Li, Jia-Hui; Liu, Hai-Yan; Deng, Shu-Ping; Liu, Ying-Ying; Ma, Jian-Fang","Functionalized resorcin[4]arene-based coordination polymers as heterogeneous catalysts for click reactions","New Journal of Chemistry","2021","45","6","3181","3187","10.1039/D0NJ06051H","","","1.54184","CuKα","","0.0443","0.0388","","","0.1004","0.105","","","","","","0.969","","","","has coordinates,has disorder","262691","2021-03-05","02:19:32",""
"7060289","12.6083","0.0016","7.6426","0.0009","16.1273","0.0019","90","","109.076","0.002","90","","1468.7","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Co N2 O6 -","- C13 H13 Co N2 O6 -","- C52 H52 Co4 N8 O24 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.0901","0.0844","","","0.252","0.2571","","","","","","1.061","","","","has coordinates","262698","2021-03-05","02:21:31",""
"7060290","12.5486","0.0014","7.6374","0.0009","16.0778","0.0018","90","","109.037","0.002","90","","1456.6","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu N2 O4 -","- C13 H9 Cu N2 O4 -","- C52 H36 Cu4 N8 O16 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.0418","0.0373","","","0.0831","0.0843","","","","","","1.158","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060291","12.3235","0.0009","7.6722","0.0005","16.1144","0.0012","90","","108.581","0.001","90","","1444.17","0.18","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N2 O6 Zn -","- C13 H13 N2 O5 Zn -","- C52 H52 N8 O20 Zn4 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.069","0.0532","","","0.1731","0.1856","","","","","","1.114","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060292","12.5435","0.0009","7.6671","0.0006","16.1534","0.0011","90","","108.771","0.001","90","","1470.88","0.19","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cr N2 O6 -","- C13 H13 Cr N2 O6 -","- C52 H52 Cr4 N8 O24 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.0966","0.0835","","","0.2395","0.2525","","","","","","1.079","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060293","12.4092","0.0009","7.67","0.0005","16.0912","0.0012","90","","108.642","0.001","90","","1451.18","0.18","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N2 Ni O6 -","- C13 H13 N2 Ni O6 -","- C52 H52 N8 Ni4 O24 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.0611","0.0583","","","0.1695","0.1713","","","","","","1.106","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060294","12.228","0.003","7.695","0.0016","16.114","0.004","90","","108.418","0.004","90","","1438.6","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Fe N2 O6 -","- C13 H13 Fe N2 O6 -","- C52 H52 Fe4 N8 O24 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.1601","0.073","","","0.2046","0.2562","","","","","","1.022","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060295","7.04","0.004","10.055","0.006","11.499","0.007","90","","95.072","0.01","90","","810.8","0.8","293.15","","293.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H16 Mn N2 O10 -","- C16 H16 Mn N2 O10 -","- C32 H32 Mn2 N4 O20 -","2","0.5","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.0966","0.0537","","","0.1209","0.1394","","","","","","1.044","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060296","37.4938","0.0011","37.4938","0.0011","12.6456","0.0004","90","","90","","120","","15395.3","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H36 Co N5 O13 -","- C31 H36 Co N5 O13 -","- C558 H648 Co18 N90 O234 -","18","1","","Chetry, Sanjib; Sharma, Pranay; Frontera, Antonio; Saha, Utpal; Verma, Akalesh K.; Sarma, Bipul; Kalita, Paran Jyoti; Bhattacharyya, Manjit K.","Biologically relevant and energetically significant cooperative ternary (π‒π)2/(π‒π)1/(π‒π)2 assemblies and fascinating discrete (H2O)21 clusters in isostructural 2,5-pyridine dicarboxylato Co(ii) and Zn(ii) phenanthroline compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","7","3699","3715","10.1039/D0NJ04338A","","","0.71073","MoKα","","0.1085","0.0643","","","0.1959","0.2187","","","","","","1.063","","","","has coordinates","262697","2021-03-05","02:21:20",""
"7060297","37.6663","0.0007","37.6663","0.0007","12.7165","0.0003","90","","90","","120","","15624.4","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H35 N5 O13 Zn -","- C31 H35 N5 O13 Zn -","- C558 H630 N90 O234.001 Zn18 -","18","1","","Chetry, Sanjib; Sharma, Pranay; Frontera, Antonio; Saha, Utpal; Verma, Akalesh K.; Sarma, Bipul; Kalita, Paran Jyoti; Bhattacharyya, Manjit K.","Biologically relevant and energetically significant cooperative ternary (π‒π)2/(π‒π)1/(π‒π)2 assemblies and fascinating discrete (H2O)21 clusters in isostructural 2,5-pyridine dicarboxylato Co(ii) and Zn(ii) phenanthroline compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","7","3699","3715","10.1039/D0NJ04338A","","","0.71073","MoKα","","0.0994","0.0635","","","0.2068","0.2419","","","","","","0.898","","","","has coordinates","262697","2021-03-05","02:21:21",""
"7060298","8.5954","0.0005","14.4663","0.0008","18.048","0.001","90","","102.46","0.002","90","","2191.3","0.2","190.15","","190.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 Cl N3 O3 -","- C27 H16 Cl N3 O3 -","- C108 H64 Cl4 N12 O12 -","4","1","","Wang, Yuanyuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Synthesis of optically active 2-amino-1′-benzyl-2′,5-dioxo-5H-spiro[indeno[1,2-b]pyran-4,3′-indoline]-3-carbonitriles catalyzed by a bifunctional squaramide derived from quinine","New Journal of Chemistry","2021","45","5","2609","2613","10.1039/D0NJ06092E","","","0.71073","MoKα","","0.0576","0.0415","","","0.0917","0.1012","","","","","","1.049","","","","has coordinates","262679","2021-03-05","02:16:09",""
"7060299","11.3607","0.0007","17.4615","0.0011","10.4929","0.0007","90","","90","","90","","2081.5","0.2","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H43 Eu N12 O9 -","- C40 H43 Eu N12 O9 -","- C80 H86 Eu2 N24 O18 -","2","0.5","","Bryleva, Yuliya A.; Ustimenko, Yuliya P.; Plyusnin, Victor F.; Mikheilis, Alexsandr V.; Shubin, Aleksandr A.; Glinskaya, Ludmila A.; Komarov, Vladislav Yu.; Agafontsev, Alexander M.; Tkachev, Alexey V.","Ln(iii) complexes with a chiral 1H-pyrazolo[3,4-b]pyridine derivative fused with a (−)-α-pinene moiety: synthesis, crystal structure, and photophysical studies in solution and in the solid state","New Journal of Chemistry","2021","45","4","2276","2284","10.1039/D0NJ05277A","","","0.71073","MoKα","","0.0496","0.0425","","","0.0793","0.0821","","","","","","1.06","","","","has coordinates,has disorder","261727","2021-02-04","23:25:41",""
"7060300","9.971","0.003","6.885","0.002","21.068","0.006","90","","102.329","0.005","90","","1413","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cu N6 O -","- C12 H18 Cu N6 O -","- C48 H72 Cu4 N24 O4 -","4","1","","Ghosh, Mrinmoy; Sepay, Nayim; Rizzoli, Corrado; Ghosh, Chandan Kumar; Banerjee, Abhijit; Saha, Sandip","Mononuclear copper(ii) Schiff base complex: synthesis, structure, electrical analysis and protein binding study","New Journal of Chemistry","2021","45","6","2995","3006","10.1039/D0NJ04610H","","","0.71073","MoKα","","0.118","0.0676","","","0.1464","0.1648","","","","","","1.012","","","","has coordinates","262694","2021-03-05","02:19:50",""
"7060301","5.8247","0.0002","27.5057","0.0008","14.9858","0.0005","90","","90.1504","0.0012","90","","2400.9","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N10 O6 -","- C24 H26 N10 O6 -","- C96 H104 N40 O24 -","4","1","","Nandi, Nishithendu Bikash; Purkayastha, Atanu; Roy, Shaktibrata; Kłak, Julia; Ganguly, Rakesh; Alkorta, Ibon; Misra, Tarun Kumar","Tetranuclear copper(ii) cubane complexes derived from self-assembled 1,3-dimethyl-5-(o-phenolate-azo)-6-aminouracil: structures, non-covalent interactions and magnetic property","New Journal of Chemistry","2021","45","5","2742","2753","10.1039/D0NJ05232A","","","0.71073","MoKα","","0.0638","0.0477","","","0.1086","0.1186","","","","","","1.038","","","","has coordinates","262685","2021-03-05","02:17:50",""
"7060302","13.266","0.0004","13.266","0.0004","28.9624","0.0012","90","","90","","90","","5097","0.3","143","2","143","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H48 Cu4 N20 O14 -","- C48 H48 Cu4 N20 O14 -","- C192 H192 Cu16 N80 O56 -","4","0.25","","Nandi, Nishithendu Bikash; Purkayastha, Atanu; Roy, Shaktibrata; Kłak, Julia; Ganguly, Rakesh; Alkorta, Ibon; Misra, Tarun Kumar","Tetranuclear copper(ii) cubane complexes derived from self-assembled 1,3-dimethyl-5-(o-phenolate-azo)-6-aminouracil: structures, non-covalent interactions and magnetic property","New Journal of Chemistry","2021","45","5","2742","2753","10.1039/D0NJ05232A","","","1.54178","CuKα","","0.0776","0.0544","","","0.136","0.1526","","","","","","1.065","","","","has coordinates,has disorder","262685","2021-03-05","02:17:50",""
"7060303","7.8313","0.0004","8.4529","0.0004","10.3855","0.0005","71.081","0.01","83.485","0.01","81.22","0.01","641.22","0.07","294","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H3 Cs N2 O4 -","- C3 H3 Cs N2 O4 -","- C12 H12 Cs4 N8 O16 -","4","2","","Isaia, Francesco; Garau, Alessandra; Castellano, Carlo; Demartin, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Lippolis, Vito; Pivetta, Tiziana","Stabilization of caesium ions by simple organic molecules: crystal structures of Cs(OXL) (OXL = oxalurate anion) and the CsOH/cyanuric acid co-crystal Cs3(CYH3)4(OH)3 (CYH3 = cyanuric acid)","New Journal of Chemistry","2021","45","6","3263","3270","10.1039/D0NJ05601D","","","0.71073","MoKα","","0.0351","0.0299","","","0.0742","0.075","","","","","","0.959","","","","has coordinates","262688","2021-03-05","02:18:33",""
"7060304","10.5063","0.0012","10.5363","0.0012","13.6572","0.0016","98.125","0.002","103.986","0.002","111.539","0.002","1319.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cs3 N12 O15 -","- C12 H12 Cs3 N12 O15 -","- C24 H24 Cs6 N24 O30 -","2","1","","Isaia, Francesco; Garau, Alessandra; Castellano, Carlo; Demartin, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Lippolis, Vito; Pivetta, Tiziana","Stabilization of caesium ions by simple organic molecules: crystal structures of Cs(OXL) (OXL = oxalurate anion) and the CsOH/cyanuric acid co-crystal Cs3(CYH3)4(OH)3 (CYH3 = cyanuric acid)","New Journal of Chemistry","2021","45","6","3263","3270","10.1039/D0NJ05601D","","","0.71073","MoKα","","0.1147","0.0869","","","0.2471","0.267","","","","","","1.069","","","","has coordinates","262688","2021-03-05","02:18:34",""
"7060305","28.094","0.004","4.5817","0.0004","11.7941","0.0008","90","","90","","90","","1518.1","0.3","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C14 H12 Ag N O9 -","- C14 H12 Ag N O9 -","- C56 H48 Ag4 N4 O36 -","4","0.5","","Hayati, Payam; Mehrabadi, Zohreh; Karimi, Mehdi; Janczak, Jan; Mohammadi, Khosro; Mahmoudi, Ghodrat; Dadi, Fatemeh; Fard, Mohammad Jaafar Soltanian; Hasanzadeh, Amir; Rostamnia, Sadegh","Photocatalytic activity of new nanostructures of an Ag(i) metal‒organic framework (Ag-MOF) for the efficient degradation of MCPA and 2,4-D herbicides under sunlight irradiation","New Journal of Chemistry","2021","45","7","3408","3417","10.1039/D0NJ02460K","","","0.71073","MoKα","","0.0377","0.031","","","0.084","0.0878","","","","","","1.002","","","","has coordinates","262704","2021-03-05","02:22:17",""
"7060306","7.9991","0.0007","14.4267","0.0015","15.781","0.0016","90","","91.373","0.004","90","","1820.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 F7 N4 O8 S3 -","- C8 H9 F7 N4 O8 S3 -","- C32 H36 F28 N16 O32 S12 -","4","1","","Siegel, David J.; Anderson, Grace I.; Cyr, Noah; Lambrecht, Daniel S.; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Molecular design principles of ionic liquids with a sulfonyl fluoride moiety","New Journal of Chemistry","2021","45","5","2443","2452","10.1039/D0NJ05603K","","","0.71073","MoKα","","0.079","0.0544","","","0.1305","0.1405","","","","","","1.04","","","","has coordinates","262676","2021-03-05","02:15:47",""
"7060307","8.7261","0.0007","10.1432","0.001","10.1921","0.0011","86.557","0.004","88.953","0.004","80.564","0.003","888.26","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 F7 N3 O6 S3 -","- C9 H12 F7 N3 O6 S3 -","- C18 H24 F14 N6 O12 S6 -","2","1","","Siegel, David J.; Anderson, Grace I.; Cyr, Noah; Lambrecht, Daniel S.; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Molecular design principles of ionic liquids with a sulfonyl fluoride moiety","New Journal of Chemistry","2021","45","5","2443","2452","10.1039/D0NJ05603K","","","0.71073","MoKα","","0.045","0.0355","","","0.0955","0.1022","","","","","","1.025","","","","has coordinates,has disorder","262676","2021-03-05","02:15:47",""
"7060308","12.029","0.003","15.417","0.003","19.656","0.006","66.957","0.013","88.617","0.016","86.55","0.02","3348.3","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H9 F7 N2 O6 S3 -","- C9 H9 F7 N2 O6 S3 -","- C72 H72 F56 N16 O48 S24 -","8","4","","Siegel, David J.; Anderson, Grace I.; Cyr, Noah; Lambrecht, Daniel S.; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Molecular design principles of ionic liquids with a sulfonyl fluoride moiety","New Journal of Chemistry","2021","45","5","2443","2452","10.1039/D0NJ05603K","","","0.71073","MoKα","","0.0681","0.0431","","","0.0996","0.113","","","","","","1.022","","","","has coordinates","262676","2021-03-05","02:15:47",""
"7060309","9.8011","0.0003","11.0925","0.0003","18.3728","0.0006","90","","97.261","0.001","90","","1981.45","0.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F11 N3 O6 S3 -","- C9.9988 H10 F10.997 N2.9994 O5.9988 S2.9994 -","- C39.9952 H40 F43.988 N11.9976 O23.9952 S11.9976 -","4","1","","Siegel, David J.; Anderson, Grace I.; Cyr, Noah; Lambrecht, Daniel S.; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Molecular design principles of ionic liquids with a sulfonyl fluoride moiety","New Journal of Chemistry","2021","45","5","2443","2452","10.1039/D0NJ05603K","","","0.71073","MoKα","","0.0633","0.049","","","0.1212","0.134","","","","","","1.095","","","","has coordinates,has disorder","262676","2021-03-05","02:15:47",""
"7060310","22.159","0.003","10.589","0.0016","16.176","0.002","90","","95.464","0.005","90","","3778.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H32 Cl2 In2 N4 O4 -","- C43 H32 Cl2 In2 N4 O4 -","- C172 H128 Cl8 In8 N16 O16 -","4","0.5","","Alexander, Orbett T.; Duvenhage, Mart M.; Kroon, Robin E.; Brink, Alice; Visser, Hendrik G.","Comparison of a dimeric and a monomeric indium-quinolinato complex: synthesis, structure and photoluminescence","New Journal of Chemistry","2021","45","4","2132","2140","10.1039/D0NJ03865B","","","0.71073","MoKα","","0.0266","0.021","","","0.0473","0.0498","","","","","","1.063","","","","has coordinates,has disorder","261728","2021-02-04","23:25:48",""
"7060311","13.77","0.002","5.0916","0.0004","22.201","0.002","90","","106.637","0.009","90","","1491.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N3 O3 S -","- C14 H18 N3 O3 S -","- C56 H72 N12 O12 S4 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Vasilev, Nikita A.; Ilyukhin, Andrey B.; Perlovich, German L.","Novel cocrystals of the potent 1,2,4-thiadiazole-based neuroprotector with carboxylic acids: virtual screening, crystal structures and solubility performance","New Journal of Chemistry","2021","45","6","3034","3047","10.1039/D0NJ05644H","","","1.54184","CuKα","","0.047","0.043","","","0.1221","0.1294","","","","","","0.948","","","","has coordinates,has disorder","262687","2021-03-05","02:18:25",""
"7060312","5.7508","0.0001","8.5166","0.0002","14.7464","0.0003","84.878","0.001","85.115","0.001","74.344","0.001","691.26","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 N3 O3 S -","- C13 H15 N3 O3 S -","- C26 H30 N6 O6 S2 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vasilev, Nikita A.; Ilyukhin, Andrey B.; Perlovich, German L.","Novel cocrystals of the potent 1,2,4-thiadiazole-based neuroprotector with carboxylic acids: virtual screening, crystal structures and solubility performance","New Journal of Chemistry","2021","45","6","3034","3047","10.1039/D0NJ05644H","","","1.54178","CuKα","","0.0397","0.0374","","","0.1035","0.1058","","","","","","0.984","","","","has coordinates,has disorder","262687","2021-03-05","02:18:25",""
"7060313","9.5188","0.0012","9.952","0.0012","11.8041","0.0015","97.589","0.004","113.069","0.004","93.795","0.004","1011.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N3 O8.5 S -","- C18 H21 N3 O8.5 S -","- C36 H42 N6 O17 S2 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vasilev, Nikita A.; Ilyukhin, Andrey B.; Perlovich, German L.","Novel cocrystals of the potent 1,2,4-thiadiazole-based neuroprotector with carboxylic acids: virtual screening, crystal structures and solubility performance","New Journal of Chemistry","2021","45","6","3034","3047","10.1039/D0NJ05644H","","","0.71073","MoKα","","0.0766","0.0618","","","0.136","0.142","","","","","","1.182","","","","has coordinates,has disorder","262687","2021-03-05","02:18:25",""
"7060314","13.4199","0.0005","21.9195","0.001","13.5946","0.0006","90","","101.16","0.003","90","","3923.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N3 O5 S -","- C19 H21 N3 O5 S -","- C152 H168 N24 O40 S8 -","8","2","","Surov, Artem O.; Voronin, Alexander P.; Vasilev, Nikita A.; Ilyukhin, Andrey B.; Perlovich, German L.","Novel cocrystals of the potent 1,2,4-thiadiazole-based neuroprotector with carboxylic acids: virtual screening, crystal structures and solubility performance","New Journal of Chemistry","2021","45","6","3034","3047","10.1039/D0NJ05644H","","","1.54178","CuKα","","0.0963","0.0746","","","0.1934","0.21","","","","","","0.961","","","","has coordinates,has disorder","262687","2021-03-05","02:18:25",""
"7060315","14.357","0.0019","4.8081","0.0005","20.166","0.003","90","","103.286","0.01","90","","1354.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N3 O3 S -","- C12 H14 N3 O3 S -","- C48 H56 N12 O12 S4 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Vasilev, Nikita A.; Ilyukhin, Andrey B.; Perlovich, German L.","Novel cocrystals of the potent 1,2,4-thiadiazole-based neuroprotector with carboxylic acids: virtual screening, crystal structures and solubility performance","New Journal of Chemistry","2021","45","6","3034","3047","10.1039/D0NJ05644H","","","1.54178","CuKα","","0.1377","0.0848","","","0.1806","0.2075","","","","","","0.985","","","","has coordinates","262687","2021-03-05","02:18:25",""
"7060316","9.217","0.001","10.17","0.004","14.562","0.002","100.29","0.03","90.202","0.013","91.119","0.018","1342.8","0.6","150","2","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H41 Li N2 O3 -","- C28 H41 Li N2 O3 -","- C56 H82 Li2 N4 O6 -","2","1","","Novák, Miroslav; Jambor, Roman; Růžičková, Zdeňka; Podzimek, Štěpán","Unique reactivity of an α-ketiminopyridine ligand with metal‒alkyls: Synthesis and ROP of ε-caprolactone","New Journal of Chemistry","2021","45","8","3800","3808","10.1039/D0NJ05498D","","","0.71073","MoKα","","0.0919","0.0672","","","0.1529","0.1655","","","","","","1.136","","","","has coordinates,has disorder","262670","2021-03-05","02:14:22",""
"7060317","9.3724","0.0004","18.9533","0.0008","13.5059","0.0007","90","","96.63","0.002","90","","2383.12","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N2 O Zn -","- C24 H36 N2 O Zn -","- C96 H144 N8 O4 Zn4 -","4","1","","Novák, Miroslav; Jambor, Roman; Růžičková, Zdeňka; Podzimek, Štěpán","Unique reactivity of an α-ketiminopyridine ligand with metal‒alkyls: Synthesis and ROP of ε-caprolactone","New Journal of Chemistry","2021","45","8","3800","3808","10.1039/D0NJ05498D","","","0.71073","MoKα","","0.0391","0.035","","","0.0978","0.1014","","","","","","1.122","","","","has coordinates","262670","2021-03-05","02:14:23",""
"7060318","11.7931","0.0013","11.932","0.0006","16.349","0.0014","90","","116.701","0.008","90","","2055.2","0.3","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O Zn -","- C22 H30 N2 O Zn -","- C88 H120 N8 O4 Zn4 -","4","1","","Novák, Miroslav; Jambor, Roman; Růžičková, Zdeňka; Podzimek, Štěpán","Unique reactivity of an α-ketiminopyridine ligand with metal‒alkyls: Synthesis and ROP of ε-caprolactone","New Journal of Chemistry","2021","45","8","3800","3808","10.1039/D0NJ05498D","","","0.71073","MoKα","","0.0729","0.0392","","","0.0824","0.0973","","","","","","1.069","","","","has coordinates","262670","2021-03-05","02:14:23",""
"7060319","8.804","0.0004","15.768","0.001","16.052","0.0011","90","","93.774","0.006","90","","2223.5","0.2","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 Al N2 O -","- C23 H35 Al N2 O -","- C92 H140 Al4 N8 O4 -","4","1","","Novák, Miroslav; Jambor, Roman; Růžičková, Zdeňka; Podzimek, Štěpán","Unique reactivity of an α-ketiminopyridine ligand with metal‒alkyls: Synthesis and ROP of ε-caprolactone","New Journal of Chemistry","2021","45","8","3800","3808","10.1039/D0NJ05498D","","","0.71073","MoKα","","0.0732","0.0408","","","0.0863","0.1031","","","","","","1.077","","","","has coordinates","262670","2021-03-05","02:14:23",""
"7060320","14.6278","0.0017","13.3165","0.0015","14.9311","0.0017","90","","111.563","0.002","90","","2704.9","0.5","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H31 B N2 Sn -","- C31 H31 B N2 Sn -","- C124 H124 B4 N8 Sn4 -","4","1","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0416","0.0389","","","0.0904","0.0919","","","","","","1.037","","","","has coordinates","262671","2021-03-05","02:14:41",""
"7060321","9.844","0.002","18.861","0.004","14.068","0.003","90","","108.167","0.004","90","","2481.8","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H56 O4 Sn2 -","- C61 H56 O4 Sn2 -","- C122 H112 O8 Sn4 -","2","0.5","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0457","0.0385","","","0.0984","0.103","","","","","","1.095","","","","has coordinates,has disorder","262671","2021-03-05","02:14:42",""
"7060322","16.9881","0.0006","15.2425","0.0005","7.7375","0.0002","90","","90","","90","","2003.56","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H18 O Sn -","- C25 H18 O Sn -","- C100 H72 O4 Sn4 -","4","1","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0301","0.0259","","","0.0551","0.057","","","","","","1.071","","","","has coordinates,has disorder","262671","2021-03-05","02:14:42",""
"7060323","9.898","0.002","11.551","0.002","12.613","0.003","70.529","0.004","80.243","0.004","67.538","0.003","1255","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N2 Sn -","- C31 H26 N2 Sn -","- C62 H52 N4 Sn2 -","2","1","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0402","0.0324","","","0.0657","0.069","","","","","","1.026","","","","has coordinates","262671","2021-03-05","02:14:42",""
"7060324","10.0636","0.0015","11.6223","0.0017","14.212","0.002","96.462","0.002","97.444","0.002","113.734","0.002","1483.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 N O4 Sn -","- C35 H29 N O4 Sn -","- C70 H58 N2 O8 Sn2 -","2","1","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0271","0.0252","","","0.0614","0.0623","","","","","","1.087","","","","has coordinates","262671","2021-03-05","02:14:42",""
"7060325","8.2544","0.0007","17.3898","0.0014","18.3621","0.0016","90","","95.75","0.003","90","","2622.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 Cl2 N4 Pd Sn2 -","- C62 H52 Cl2 N4 Pd Sn2 -","- C124 H104 Cl4 N8 Pd2 Sn4 -","2","0.5","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0951","0.0477","","","0.1071","0.1335","","","","","","1.006","","","","has coordinates,has disorder","262671","2021-03-05","02:14:42",""
"7060326","27.3118","0.0009","12.8432","0.0005","20.098","0.0007","90","","111.247","0.001","90","","6570.6","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 Cu F12 N4 O4 Sn2 -","- C72 H54 Cu F12 N4 O4 Sn2 -","- C288 H216 Cu4 F48 N16 O16 Sn8 -","4","0.5","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0346","0.0298","","","0.0702","0.0735","","","","","","1.03","","","","has coordinates,has disorder","262671","2021-03-05","02:14:42",""
"7060327","12.197","0.0005","8.0942","0.0003","19.7477","0.0008","90","","90","","90","","1949.59","0.13","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H23 Cl O4 Ru -","- C21 H23 Cl O4 Ru -","- C84 H92 Cl4 O16 Ru4 -","4","1","","Usman, Mohammad; Husain, Fohad Mabood; Khan, Rais Ahmad; Alharbi, Walaa; Alsalme, Ali; Al-Lohedan, Hamad A.; Tabassum, Sartaj","Organometallic ruthenium (η6-p-cymene) complexes interfering with quorum sensing and biofilm formation: an anti-infective approach to combat multidrug-resistance in bacteria","New Journal of Chemistry","2021","45","4","2184","2199","10.1039/D0NJ05068G","","","0.71073","MoKα","","0.032","0.0266","","","0.0516","0.0557","","","","","","1.0462","","","","has coordinates","261731","2021-02-04","23:26:09",""
"7060328","10.2272","0.0002","12.2502","0.0002","17.0456","0.0003","81.444","0.002","85.958","0.002","87.659","0.002","2105.54","0.07","293","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Hg O4 P2 S4 -","- C40 H52 Hg O4 P2 S4 -","- C80 H104 Hg2 O8 P4 S8 -","2","1","","Kumar, Pretam; Banerjee, Snehasis; Radha, Anu; Firdoos, Tahira; Sahoo, Subash Chandra; Pandey, Sushil K.","Role of non-covalent interactions in the supramolecular architectures of mercury(ii) diphenyldithiophosphates: An experimental and theoretical investigation","New Journal of Chemistry","2021","45","4","2249","2263","10.1039/D0NJ05709F","","x-ray","0.71073","MoKα","","0.0423","0.0357","","","0.0762","0.0781","","","","","","1.075","","","","has coordinates","261733","2021-02-04","23:26:45",""
"7060329","14.6282","0.0004","11.2271","0.0002","22.4201","0.0007","90","","106.821","0.003","90","","3524.56","0.17","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Hg O4 P2 S4 -","- C32 H36 Hg O4 P2 S4 -","- C128 H144 Hg4 O16 P8 S16 -","4","1","","Kumar, Pretam; Banerjee, Snehasis; Radha, Anu; Firdoos, Tahira; Sahoo, Subash Chandra; Pandey, Sushil K.","Role of non-covalent interactions in the supramolecular architectures of mercury(ii) diphenyldithiophosphates: An experimental and theoretical investigation","New Journal of Chemistry","2021","45","4","2249","2263","10.1039/D0NJ05709F","","x-ray","0.71073","MoKα","","0.0706","0.0389","","","0.0645","0.0707","","","","","","1.047","","","","has coordinates","261733","2021-02-04","23:26:46",""
"7060330","9.8048","0.0009","32.731","0.003","13.187","0.0012","90","","105.474","0.0013","90","","4078.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H66 Co2 N4 Si2 -","- C38 H66 Co2 N4 Si2 -","- C152 H264 Co8 N16 Si8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0416","0.0356","","","0.082","0.0864","","","","","","1.105","","","","has coordinates","268869","2021-09-06","12:03:42",""
"7060331","10.113","0.004","12.44","0.005","19.847","0.008","87.763","0.005","82.709","0.005","83.674","0.005","2460.8","1.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Co F9 N2 -","- C26 H21 Co F9 N2 -","- C104 H84 Co4 F36 N8 -","4","2","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0432","0.0336","","","0.0853","0.0912","","","","","","1.021","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060332","14.43","","14.43","","34.979","0.004","90","","90","","90","","7283.5","0.8","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C19 H21 Co F4 N2 -","- C19 H21 Co F4 N2 -","- C304 H336 Co16 F64 N32 -","16","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0281","0.0271","","","0.0665","0.0675","","","","","","1.089","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060333","9.119","0.015","26.21","0.04","9.776","0.016","90","","100.734","0.018","90","","2296","6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H21 Co F7 N2 -","- C21 H21 Co F7 N2 -","- C84 H84 Co4 F28 N8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0345","0.0329","","","0.0842","0.0856","","","","","","1.052","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060334","9.1832","0.0013","24.615","0.003","9.5495","0.0013","90","","116.222","0.0017","90","","1936.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Co F5 N2 -","- C20 H21 Co F5 N2 -","- C80 H84 Co4 F20 N8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0311","0.0281","","","0.0711","0.0727","","","","","","1.049","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060335","10.0164","0.0019","18.981","0.004","14.424","0.003","90","","106.075","0.003","90","","2635.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Co F7 N2 -","- C26 H31 Co F7 N2 -","- C104 H124 Co4 F28 N8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0763","0.0614","","","0.1651","0.1805","","","","","","1.043","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060336","10.537","0.002","12.969","0.003","16.378","0.004","90","","90","","90","","2238.1","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Co F8 N2 -","- C24 H21 Co F8 N2 -","- C96 H84 Co4 F32 N8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0354","0.0317","","","0.0756","0.0798","","","","","","0.945","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060337","9.6744","0.0019","13.994","0.003","18.907","0.004","90","","102.29","0.03","90","","2501","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Co2 F6 N4 -","- C26 H26 Co2 F6 N4 -","- C104 H104 Co8 F24 N16 -","4","0.5","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0314","0.0279","","","0.0719","0.0742","","","","","","1.067","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060338","17.2939","0.0014","17.2939","0.0014","34.055","0.003","90","","90","","90","","10185.1","1.5","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H43 Co N2 Si -","- C24 H43 Co N2 Si -","- C384 H688 Co16 N32 Si16 -","16","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0401","0.0323","","","0.0815","0.0857","","","","","","1.072","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060339","10.152","0.014","10.299","0.014","11.324","0.015","88.611","0.016","80.883","0.018","81.458","0.016","1156","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 Co F5 N2 -","- C25 H31 Co F5 N2 -","- C50 H62 Co2 F10 N4 -","2","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0597","0.0448","","","0.1162","0.149","","","","","","1.109","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060340","16.153","0.005","18.523","0.005","12.963","0.003","90","","95.84","0.03","90","","3858.4","1.8","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Co2 F6 N4 -","- C40 H48 Co2 F6 N4 -","- C160 H192 Co8 F24 N16 -","4","0.5","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0483","0.0359","","","0.0858","0.0959","","","","","","1.047","","","","has coordinates,has disorder","268869","2021-09-06","12:03:43",""
"7060341","6.672","0.002","6.9096","0.0018","6.992","0.002","73.521","0.012","89.005","0.003","75.832","0.005","299.22","0.15","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","1","0.5","","Zhu, Jiaping; Xu, Jielai; Yao, Chaojian; Zhan, Tong; Liu, Weibing; Tan, Hua","A new 3D Ag(i)-based high-energy metal organic frameworks (HE-MOFs): synthesis, crystal structure and explosive performance","New Journal of Chemistry","2021","45","7","3552","3558","10.1039/D0NJ05744D","","","0.71073","MoKα","","0.055","0.0433","","","0.1002","0.1043","","","","","","1.133","","","","has coordinates","262703","2021-03-05","02:22:05",""
"7060342","8.9723","0.0014","5.0146","0.0008","14.813","0.002","90","","105.854","0.002","90","","641.12","0.17","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 Ag N6 O3 -","- C2 H4 Ag N6 O3 -","- C8 H16 Ag4 N24 O12 -","4","1","","Zhu, Jiaping; Xu, Jielai; Yao, Chaojian; Zhan, Tong; Liu, Weibing; Tan, Hua","A new 3D Ag(i)-based high-energy metal organic frameworks (HE-MOFs): synthesis, crystal structure and explosive performance","New Journal of Chemistry","2021","45","7","3552","3558","10.1039/D0NJ05744D","","","0.71073","MoKα","","0.0233","0.0183","","","0.0402","0.0423","","","","","","1.077","","","","has coordinates","262703","2021-03-05","02:22:05",""
"7060343","7.9107","0.0016","12.229","0.002","30.953","0.006","90","","90","","90","","2994.4","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 O7 Pd2 S2 -","- C31 H26 N2 O7 Pd2 S2 -","- C124 H104 N8 O28 Pd8 S8 -","4","1","","Loni, Masood; Balmohammadi, Yaser; Dadgar Yeganeh, Reza; Imani, Kaveh; Notash, Behrouz; Bazgir, Ayoob","A case study of Pd⋯Pd intramolecular interaction in a benzothiazole based palladacycle; catalytic activity toward amide synthesis via an isocyanide insertion pathway","New Journal of Chemistry","2021","45","6","3290","3297","10.1039/D0NJ06301K","","","0.71073","MoKα","","0.0897","0.0595","","","0.1257","0.1473","","","","","","0.96","","","","has coordinates","262693","2021-03-05","02:19:44",""
"7060344","10.6953","0.0002","10.0575","0.0002","11.252","0.0002","90","","113.454","0.001","90","","1110.36","0.04","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C56 H48 O24 -","4","1","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.71073","MoKα","","0.0316","0.0295","","","0.0739","0.0752","","","","","","1.039","","","","has coordinates","262696","2021-03-05","02:20:53",""
"7060345","32.91","0.004","5.5297","0.0007","26.685","0.004","90","","106.912","0.003","90","","4646.2","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C192 H192 N16 O48 -","8","1","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.71073","MoKα","","0.1329","0.0628","","","0.1332","0.1667","","","","","","1","","","","has coordinates","262696","2021-03-05","02:20:56",""
"7060346","8.5916","0.0003","18.4981","0.0005","13.3949","0.0004","90","","90.676","0.001","90","","2128.68","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O6 -","- C25 H26 N2 O6 -","- C100 H104 N8 O24 -","4","1","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.71073","MoKα","","0.08","0.0489","","","0.1142","0.1335","","","","","","1.014","","","","has coordinates","262696","2021-03-05","02:21:06",""
"7060347","16.625","0.003","7.2251","0.0014","10.625","0.002","90","","92.13","0.03","90","","1275.4","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C60 H60 N4 O20 -","4","2","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.9699","synchrotron","","0.1283","0.1082","","","0.2459","0.2632","","","","","","1.026","","","","has coordinates","262696","2021-03-05","02:21:06",""
"7060348","9.8725","0.0002","16.5515","0.0003","29.9337","0.0006","90","","90","","90","","4891.31","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C216 H176 N16 O40 -","8","1","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.71073","MoKα","","0.059","0.0433","","","0.1093","0.1206","","","","","","1.024","","","","has coordinates","262696","2021-03-05","02:21:06",""
"7060349","28.8227","0.0002","7.06822","0.00005","29.0394","0.0002","90","","107.441","0.0008","90","","5644.06","0.07","117.6","0.2","117.6","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H17 Br Cl F5 N2 Pt -","- C32 H17 Br Cl F5 N2 Pt -","- C256 H136 Br8 Cl8 F40 N16 Pt8 -","8","2","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","x-ray","1.54184","CuKα","","0.0337","0.0322","","","0.0795","0.0804","","","","","","1.142","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060350","8.2027","0.0004","10.2109","0.0005","10.6109","0.0005","113.843","0.005","96.348","0.004","106.099","0.004","755.53","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 Pt -","- C18 H13 Cl N2 Pt -","- C36 H26 Cl2 N4 Pt2 -","2","1","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","x-ray","0.71073","MoKα","","0.0389","0.029","","","0.0629","0.0651","","","","","","0.998","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060351","18.4477","0.0004","7.2402","0.0001","17.3327","0.0003","90","","102.326","0.002","90","","2261.68","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 Cl F5 I N2 Pt -","- C24 H13 Cl F5 I N2 Pt -","- C96 H52 Cl4 F20 I4 N8 Pt4 -","4","1","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","","0.71073","MoKα","","0.0308","0.0269","","","0.0606","0.062","","","","","","1.09","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060352","6.8603","0.0002","15.4638","0.0005","21.8179","0.0006","90","","90.911","0.002","90","","2314.29","0.12","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 Br2 Cl F4 N2 Pt -","- C24 H13 Br2 Cl F4 N2 Pt -","- C96 H52 Br8 Cl4 F16 N8 Pt4 -","4","1","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","","0.71073","MoKα","","0.0381","0.0316","","","0.0623","0.0649","","","","","","1.13","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060353","10.2106","0.0004","10.6023","0.0004","16.3217","0.0005","106.586","0.003","94.844","0.003","113.816","0.004","1508.48","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 Pt -","- C18 H13 Cl N2 Pt -","- C72 H52 Cl4 N8 Pt4 -","4","2","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","x-ray","0.71073","MoKα","","0.0328","0.0238","","","0.0497","0.0505","","","","","","0.98","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060354","23.4886","0.0003","7.161","0.0001","34.3172","0.0004","90","","90.551","0.001","90","","5771.95","0.13","122","0.9","122","0.9","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H17 Br2 Cl F4 N2 Pt -","- C32 H17 Br2 Cl F4 N2 Pt -","- C256 H136 Br16 Cl8 F32 N16 Pt8 -","8","2","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","x-ray","1.54184","CuKα","","0.0444","0.0413","","","0.1118","0.1141","","","","","","1.081","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060355","8.5905","0.0002","7.5936","0.0002","9.3872","0.0002","90","","93.398","0.001","90","","611.28","0.03","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Gd O10 Zn -","- B5 Gd O10 Zn -","- B20 Gd4 O40 Zn4 -","4","1","","Ma, Qin; Tong, Tinghao; Su, Zhi","Synthesis, crystal structure and theoretical calculations of two rare-earth borates with DUV cut-off edges","New Journal of Chemistry","2021","45","10","4823","4827","10.1039/D0NJ05763K","","","0.71073","MoKα","","0.0124","0.0121","","","0.03","0.0301","","","","","","1.136","","","","has coordinates","263805","2021-04-05","15:09:18",""
"7060356","8.518","0.0003","7.5935","0.0002","9.3523","0.0003","90","","93.755","0.001","90","","603.62","0.03","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 O10 Y Zn -","- B5 O10 Y Zn -","- B20 O40 Y4 Zn4 -","4","1","","Ma, Qin; Tong, Tinghao; Su, Zhi","Synthesis, crystal structure and theoretical calculations of two rare-earth borates with DUV cut-off edges","New Journal of Chemistry","2021","45","10","4823","4827","10.1039/D0NJ05763K","","","0.71073","MoKα","","0.0272","0.0211","","","0.0429","0.0446","","","","","","1.048","","","","has coordinates","263805","2021-04-05","15:09:18",""
"7060357","22.256","0.005","20.132","0.005","17.579","0.005","90","","107.037","0.005","90","","7531","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Mn2 N30 O44 Si W12 -","- C36 H38 Mn2 N30 O44 Si W12 -","- C144 H152 Mn8 N120 O176 Si4 W48 -","4","0.5","","Yang, Ruoru; Li, Bonan; Lai, Xiaoyong; Yu, Xiaojing; Xiao, Boxin; Hu, Sumin; Pang, Haijun; Ma, Huiyuan; Wang, Xinming; Tan, Lichao","An irregular-octagonal-prism-shaped host‒guest supramolecular network based on silicotungstate and manganese-complex for light-driven hydrogen evolution","New Journal of Chemistry","2021","45","8","3954","3959","10.1039/D0NJ05245K","","","0.71069","MoKα","","0.1082","0.0556","","","0.1076","0.1233","","","","","","1.095","","","","has coordinates","262674","2021-03-05","02:15:16",""
"7060358","8.831","0.0005","9.6737","0.0005","12.2527","0.0006","99.502","0.002","95.461","0.002","91.567","0.002","1026.69","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H22 Fe N O2 P S -","- C23 H22 Fe N O2 P S -","- C46 H44 Fe2 N2 O4 P2 S2 -","2","1","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","0.71073","MoKα","","0.0289","0.0249","","","0.0615","0.0634","","","","","","1.066","","","","has coordinates","262695","2021-03-05","02:20:10",""
"7060359","8.8684","0.0008","11.2935","0.001","12.1215","0.0011","101.103","0.002","93.464","0.002","105.757","0.002","1138.35","0.18","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H44 Cl2 Fe2 N2 O4 P2 Pd S2 -","- C46 H44 Cl2 Fe2 N2 O4 P2 Pd S2 -","- C46 H44 Cl2 Fe2 N2 O4 P2 Pd S2 -","1","0.5","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","1.54178","CuKα","","0.0408","0.0384","","","0.1008","0.1035","","","","","","1.077","","","","has coordinates","262695","2021-03-05","02:20:13",""
"7060360","13.4617","0.0005","13.7207","0.0005","15.3668","0.0007","90","","94.062","0.001","90","","2831.2","0.2","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 Fe N2 O2 P Pd S -","- C32 H33 Fe N2 O2 P Pd S -","- C128 H132 Fe4 N8 O8 P4 Pd4 S4 -","4","1","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","0.71073","MoKα","","0.0231","0.0199","","","0.0496","0.0512","","","","","","1.043","","","","has coordinates","262695","2021-03-05","02:20:20",""
"7060361","10.652","0.0005","16.9584","0.0008","20.2403","0.0009","109.208","0.001","101.163","0.002","100.816","0.002","3260.3","0.3","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C32.5 H34.5 Cl2.5 Fe N2 O2 P Pd S -","- C32.5 H34.5 Cl2.5 Fe N2 O2 P Pd S -","- C130 H138 Cl10 Fe4 N8 O8 P4 Pd4 S4 -","4","2","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","0.71073","MoKα","","0.0309","0.0267","","","0.0612","0.0637","","","","","","1.08","","","","has coordinates,has disorder","262695","2021-03-05","02:20:23",""
"7060362","18.5588","0.0009","9.0762","0.0004","51.788","0.003","90","","90","","90","","8723.3","0.8","120","2","120","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C23 H25 B Fe N O2 P S -","- C23 H25 B Fe N O2 P S -","- C368 H400 B16 Fe16 N16 O32 P16 S16 -","16","4","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","1.54178","CuKα","","0.0345","0.0319","","","0.0786","0.0798","","","","","","1.04","","","","has coordinates","262695","2021-03-05","02:20:32",""
"7060363","10.8367","0.0006","11.5827","0.0007","11.5985","0.0007","84.816","0.002","75.91","0.002","79.007","0.002","1384.64","0.14","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H46 Cl10 Fe2 N2 O4 P2 Pd2 S2 -","- C48 H46 Cl10 Fe2 N2 O4 P2 Pd2 S2 -","- C48 H46 Cl10 Fe2 N2 O4 P2 Pd2 S2 -","1","0.5","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","0.71073","MoKα","","0.0303","0.0249","","","0.0548","0.0573","","","","","","1.085","","","","has coordinates","262695","2021-03-05","02:20:34",""
"7060364","9.9796","0.0007","14.2509","0.0014","17.1337","0.0017","111.363","0.004","93.366","0.002","94.829","0.002","2250.7","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42.25 H35.5 Cl7.5 N2 Pd -","- C42.25 H35.5 Cl7.5 N2 Pd -","- C84.5 H71 Cl15 N4 Pd2 -","2","1","","Li, Shuaikang; Lu, Zhou; Fan, Weigang; Dai, Shengyu","Efficient incorporation of a polar comonomer for direct synthesis of hyperbranched polar functional ethylene oligomers","New Journal of Chemistry","2021","45","8","4024","4031","10.1039/D0NJ05857B","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","262673","2021-03-05","02:15:01",""
"7060365","5.6448","0.0001","35.341","0.0009","10.9173","0.0003","90","","91.355","0.001","90","","2177.31","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O6 S -","- C22 H28 N2 O6 S -","- C88 H112 N8 O24 S4 -","4","1","","Jin, Wen Bin; Xu, Chen; Qi, Xiao Lin; Zeng, Ping; Gao, Wei; Lai, Ki Hon; Chiou, Jiachi; Chan, Edward W. C.; Leung, Yun-Chung; Chan, Tak Hang; Wong, Kwok-Yin; Chen, Sheng; Chan, Kin-Fai","Synthesis of 1,3,4-trisubstituted pyrrolidines as meropenem adjuvants targeting New Delhi metallo-β-lactamase","New Journal of Chemistry","2021","45","7","3515","3534","10.1039/D0NJ06090A","","","0.71073","MoKα","","0.1023","0.0839","","","0.1814","0.1926","","","","","","1.001","","","","has coordinates","262700","2021-03-05","02:21:45",""
"7060366","11.6678","0.0017","8.0747","0.0012","17.753","0.003","90","","93.372","0.004","90","","1669.7","0.4","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 Cl N3 O2 Pd0.5 S -","- C14 H19 Cl N3 O2 Pd0.5 S -","- C56 H76 Cl4 N12 O8 Pd2 S4 -","4","1","","Amoah, Cephas; Obuah, Collins; Ainooson, Michael Kojo; Adokoh, Christian Kwaku; Muller, Alfred","Synthesis, characterization and antibacterial applications of pyrazolyl-sulfonamides and their palladium complexes","New Journal of Chemistry","2021","45","7","3716","3726","10.1039/D0NJ05143H","","","0.71073","MoKα","","0.0917","0.0507","","","0.1121","0.1276","","","","","","1.035","","","","has coordinates","262702","2021-03-05","02:21:58",""
"7060367","5.981","0.0004","13.5851","0.0009","13.8198","0.001","96.481","0.001","97.403","0.001","90.36","0.001","1106.17","0.13","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H33 Co2 Cr Mo6 N12 O30 -","- C20 H33 Co2 Cr Mo6 N12 O30 -","- C20 H33 Co2 Cr Mo6 N12 O30 -","1","0.5","","Zhang, Jing-Yuan; Chang, Zhi-Han; Wang, Xiu-Li; Wang, Xiang; Lin, Hong-Yan","Different Anderson-type polyoxometalate-based metal‒organic complexes exhibiting ‒OH group-directed structures and electrochemical sensing performance","New Journal of Chemistry","2021","45","6","3328","3334","10.1039/D0NJ05517D","","x-ray","0.71073","MoKα","K-L~3~","0.0344","0.0264","","","0.0591","0.062","","","","","","1.041","","","","has coordinates,has disorder","262690","2021-03-05","02:18:57",""
"7060368","7.5943","0.0008","12.1489","0.0012","13.6939","0.0014","84.043","0.002","86.335","0.002","82.999","0.002","1245.6","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H37 Co3 Mo6 N12 O34.5 Te -","- C20 H37 Co3 Mo6 N12 O34.5 Te -","- C20 H37 Co3 Mo6 N12 O34.5 Te -","1","0.5","","Zhang, Jing-Yuan; Chang, Zhi-Han; Wang, Xiu-Li; Wang, Xiang; Lin, Hong-Yan","Different Anderson-type polyoxometalate-based metal‒organic complexes exhibiting ‒OH group-directed structures and electrochemical sensing performance","New Journal of Chemistry","2021","45","6","3328","3334","10.1039/D0NJ05517D","","","0.71073","MoKα","","0.0268","0.0237","","","0.0667","0.0691","","","","","","1.077","","","","has coordinates,has disorder","262690","2021-03-05","02:19:02",""
"7060369","5.9669","0.0003","13.5608","0.0006","13.7319","0.0007","96.906","0.001","96.985","0.001","90.576","0.001","1094.54","0.09","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H33 Al Mo6 N12 Ni2 O30 -","- C20 H33 Al Mo6 N12 Ni2 O30 -","- C20 H33 Al Mo6 N12 Ni2 O30 -","1","0.5","","Zhang, Jing-Yuan; Chang, Zhi-Han; Wang, Xiu-Li; Wang, Xiang; Lin, Hong-Yan","Different Anderson-type polyoxometalate-based metal‒organic complexes exhibiting ‒OH group-directed structures and electrochemical sensing performance","New Journal of Chemistry","2021","45","6","3328","3334","10.1039/D0NJ05517D","","","0.71073","MoKα","","0.0466","0.0318","","","0.0625","0.0681","","","","","","1.009","","","","has coordinates","262690","2021-03-05","02:19:12",""
"7060370","7.5676","0.0007","12.1161","0.0011","13.6402","0.0012","84.225","0.001","86.487","0.002","83.139","0.002","1233.87","0.19","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H36 Mo6 N12 Ni3 O34 Te -","- C20 H36 Mo6 N12 Ni3 O34 Te -","- C20 H36 Mo6 N12 Ni3 O34 Te -","1","0.5","","Zhang, Jing-Yuan; Chang, Zhi-Han; Wang, Xiu-Li; Wang, Xiang; Lin, Hong-Yan","Different Anderson-type polyoxometalate-based metal‒organic complexes exhibiting ‒OH group-directed structures and electrochemical sensing performance","New Journal of Chemistry","2021","45","6","3328","3334","10.1039/D0NJ05517D","","x-ray","0.71073","MoKα","K-L~3~","0.0393","0.031","","","0.0986","0.1097","","","","","","0.822","","","","has coordinates","262690","2021-03-05","02:19:15",""
"7060371","11.2663","0.0005","12.7935","0.0005","11.303","0.0005","90","","98.129","0.004","90","","1612.79","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl0 N O6 S -","- C18 H15 N O6 S -","- C72 H60 N4 O24 S4 -","4","1","","Ganie, Arshid A.; Ismail, Thufail M.; Sajith, P. K.; Dar, Aijaz A.","Validation of the supramolecular synthon preference through DFT and physicochemical property investigations of pyridyl salts of organo-sulfonates","New Journal of Chemistry","2021","45","10","4780","4790","10.1039/D0NJ05485B","","","0.71073","MoKα","","0.0734","0.0614","","","0.156","0.1765","","","","","","1.065","","","","has coordinates","263806","2021-04-05","15:09:27",""
"7060372","16.8841","0.0006","13.127","0.0004","18.262","0.002","90","","90","","90","","4047.5","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N2 O7 S -","- C20 H22 N2 O7 S -","- C160 H176 N16 O56 S8 -","8","1","","Ganie, Arshid A.; Ismail, Thufail M.; Sajith, P. K.; Dar, Aijaz A.","Validation of the supramolecular synthon preference through DFT and physicochemical property investigations of pyridyl salts of organo-sulfonates","New Journal of Chemistry","2021","45","10","4780","4790","10.1039/D0NJ05485B","","","0.71073","MoKα","","0.1371","0.1056","","","0.2883","0.3522","","","","","","1.191","","","","has coordinates","263806","2021-04-05","15:09:28",""
"7060373","13.9044","0.001","14.377","0.0012","23.532","0.002","90","","91.946","0.003","90","","4701.4","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H60 N4 O20 S2 -","- C43 H60 N4 O20 S2 -","- C172 H240 N16 O80 S8 -","4","0.5","","Ganie, Arshid A.; Ismail, Thufail M.; Sajith, P. K.; Dar, Aijaz A.","Validation of the supramolecular synthon preference through DFT and physicochemical property investigations of pyridyl salts of organo-sulfonates","New Journal of Chemistry","2021","45","10","4780","4790","10.1039/D0NJ05485B","","","0.71073","MoKα","","0.0535","0.0409","","","0.0998","0.108","","","","","","1.017","","","","has coordinates","263806","2021-04-05","15:09:28",""
"7060374","9.7998","0.0002","10.5057","0.0002","16.7575","0.0003","106.986","0.001","91.93","0.001","114.973","0.001","1470.99","0.05","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 Fe2 O5 P S2 Sn -","- C27 H25 Fe2 O5 P S2 Sn -","- C54 H50 Fe4 O10 P2 S4 Sn2 -","2","1","","Abul-Futouh, Hassan; Almazahreh, Laith R.; Abaalkhail, Sara J.; Görls, Helmar; Stripp, Sven T.; Weigand, Wolfgang","Ligand effects on structural, protophilic and reductive features of stannylated dinuclear iron dithiolato complexes","New Journal of Chemistry","2021","45","1","36","44","10.1039/D0NJ04790B","","","0.71073","MoKα","","0.0254","0.0235","","","0.0517","0.0533","","","","","","1.07","","","","has coordinates","261511","2021-02-04","17:21:32",""
"7060375","9.6675","0.0003","10.2531","0.0003","12.5768","0.0003","102.077","0.001","103.608","0.001","109.654","0.001","1082.95","0.05","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H19 Fe2 O8 P S2 Sn -","- C12 H19 Fe2 O8 P S2 Sn -","- C24 H38 Fe4 O16 P2 S4 Sn2 -","2","1","","Abul-Futouh, Hassan; Almazahreh, Laith R.; Abaalkhail, Sara J.; Görls, Helmar; Stripp, Sven T.; Weigand, Wolfgang","Ligand effects on structural, protophilic and reductive features of stannylated dinuclear iron dithiolato complexes","New Journal of Chemistry","2021","45","1","36","44","10.1039/D0NJ04790B","","","0.71073","MoKα","","0.0211","0.02","","","0.0467","0.0474","","","","","","1.099","","","","has coordinates","261511","2021-02-04","17:21:33",""
"7060376","8.7769","0.001","9.1976","0.0012","10.1697","0.0012","74.462","0.005","81.905","0.005","69.13","0.005","738.13","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(2,5-dimethyl-11,12-dihydro-5H-5,11-epoxybenzo[7,8]oxocino[4,3-b]pyridin-3-yl)ethan-1-one","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Kulakov, Ivan V.; Stalinskaya, Alena L.; Chikunov, Semyon Y.; Gatilov, Yuri V.","Synthesis of new representatives of 11,12-dihydro-5H-5,11-epoxybenzo[7,8]oxocino[4,3-b]pyridines ‒ structural analogues of integrastatins A, B","New Journal of Chemistry","2021","45","7","3559","3569","10.1039/D0NJ06117D","","","0.71073","MoKα","","0.0509","0.0441","","","0.1212","0.1304","","","","","","0.937","","","","has coordinates","262699","2021-03-05","02:21:38",""
"7060377","8.6753","0.0005","12.6601","0.0007","13.8621","0.0007","64.282","0.002","76.253","0.002","84.09","0.002","1332.37","0.13","178","2","177.79","","","","","","","","","5","P -1","-P 1","2","PBIA-Tm1D","catena Thulium (III) - (2,2'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dipropionate)-2-dimethylformamide solvate-1-NO3 solvate","","- C22 H24 N5 O13 Tm -","- C22 H24 N5 O13 Tm -","- C44 H48 N10 O26 Tm2 -","2","1","","González Chávez, Fernando; Beltrán, Hiram Isaac","Tuning dimensionality between 2D and 1D MOFs by lanthanide contraction and ligand-to-metal ratio","New Journal of Chemistry","2021","45","15","6600","6610","10.1039/D0NJ04055J","","","0.71073","MoKα","","0.0571","0.0351","","","0.0661","0.0724","","","","","","1.085","","","","has coordinates,has disorder","264935","2021-05-05","08:58:01",""
"7060378","14.6257","0.0009","14.7988","0.001","15.0858","0.001","90","","101.281","0.004","90","","3202.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","JK77C - Naphthyl-SO2-NH-C6H3(2-Me)(4-COOH)","","","- C18 H15 N O4 S -","- C18 H15 N O4 S -","- C144 H120 N8 O32 S8 -","8","1","","Li, Edward W.; Katinas, Jade; Jones, Marjorie A.; Hamaker, Christopher G.","Structural characterization of naphthalene sulfonamides and a sulfonate ester and their in vitro efficacy against Leishmania tarentolae promastigotes","New Journal of Chemistry","2021","45","10","4791","4801","10.1039/D0NJ06320G","","","0.71073","MoKα","","0.0358","0.03","","","0.0792","0.0833","","","","","","1.061","","","","has coordinates","263803","2021-04-05","15:09:04",""
"7060379","8.923","0.002","9.1409","0.0008","17.8901","0.0014","90","","97.508","0.01","90","","1446.7","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C64 H48 Cl4 N4 O8 S4 -","4","1","","Li, Edward W.; Katinas, Jade; Jones, Marjorie A.; Hamaker, Christopher G.","Structural characterization of naphthalene sulfonamides and a sulfonate ester and their in vitro efficacy against Leishmania tarentolae promastigotes","New Journal of Chemistry","2021","45","10","4791","4801","10.1039/D0NJ06320G","","x-ray","0.71073","MoKα","","0.0483","0.0343","","","0.096","0.1034","","","","","","1.038","","","","has coordinates","263803","2021-04-05","15:09:04",""
"7060380","7.9204","0.0005","8.7629","0.0006","11.5108","0.0007","93.616","0.004","92.555","0.004","103.286","0.004","774.55","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","CGH7-05A 1-naphthyl-SO3-C6H3(2-Me)(4-COOH) CH7-04 from Acetone/Hexanes","","","- C18 H14 O5 S -","- C18 H14 O5 S -","- C36 H28 O10 S2 -","2","1","","Li, Edward W.; Katinas, Jade; Jones, Marjorie A.; Hamaker, Christopher G.","Structural characterization of naphthalene sulfonamides and a sulfonate ester and their in vitro efficacy against Leishmania tarentolae promastigotes","New Journal of Chemistry","2021","45","10","4791","4801","10.1039/D0NJ06320G","","","0.71073","MoKα","","0.0473","0.0378","","","0.0972","0.1028","","","","","","1.045","","","","has coordinates","263803","2021-04-05","15:09:04",""
"7060381","15.6841","0.0004","13.1101","0.0003","20.4047","0.0005","90","","106.066","0.001","90","","4031.75","0.17","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","spiroquinoline","'7-(1H-pyrrol-1-yl)spiro[chromeno[4,3-b]quinoline-6,1'-cycloheptane]'","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C208 H192 N16 O8 -","8","1","","Silva, Letícia B.; Stefanello, Felipe S.; Feitosa, Sarah C.; Frizzo, Clarissa P.; Martins, Marcos A. P.; Zanatta, Nilo; Iglesias, Bernardo A.; Bonacorso, Helio G.","Novel 7-(1H-pyrrol-1-yl)spiro[chromeno[4,3-b]quinoline-6,1′-cycloalkanes]: synthesis, cross-coupling reactions, and photophysical properties","New Journal of Chemistry","2021","45","8","4061","4070","10.1039/D0NJ05740A","","","1.54178","CuKα","","0.0641","0.0533","","","0.1496","0.1592","","","","","","1.048","","","","has coordinates","262672","2021-03-05","02:14:54",""
"7060382","10.36","0.002","10.778","0.003","13.244","0.003","107.886","0.003","110.763","0.003","97.176","0.003","1269.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Br4 Cl4 Fe2 N2 P2 -","- C52 H40 Br4 Cl4 Fe2 N2 P2 -","- C52 H40 Br4 Cl4 Fe2 N2 P2 -","1","0.5","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.1568","0.061","","","0.1255","0.1657","","","","","","0.899","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060383","8.815","0.0002","9.4545","0.0003","13.5012","0.0004","89.492","0.001","89.667","0.001","64.949","0.001","1019.32","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Br2 Fe N P -","- C20 H24 Br2 Fe N P -","- C40 H48 Br4 Fe2 N2 P2 -","2","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.0802","0.0388","","","0.0771","0.0962","","","","","","1.052","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060384","9.8976","0.0002","10.5112","0.0002","11.5804","0.0003","81.768","0.001","86.725","0.001","77.768","0.001","1164.84","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br2 Fe N P -","- C26 H20 Br2 Fe N P -","- C52 H40 Br4 Fe2 N2 P2 -","2","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.0537","0.0338","","","0.0636","0.0695","","","","","","1.035","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060385","13.9917","0.0008","13.9917","0.0008","18.8197","0.0012","90","","90","","120","","3190.7","0.3","150","","150","","","","","","","","","6","P -3","-P 3","147","","","","- C66 H54 F9 N3 P4.5 Ru -","- C66 H54 F9 N3 P4.5 Ru -","- C132 H108 F18 N6 P9 Ru2 -","2","0.333333","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.0961","0.0817","","","0.1904","0.2008","","","","","","1.062","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060386","15.2667","0.0014","15.9297","0.0014","40.09","0.004","90","","99.585","0.003","90","","9613.5","1.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H94 B2 Fe N3 P3 -","- C114 H94 B2 Fe N3 P3 -","- C456 H376 B8 Fe4 N12 P12 -","4","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.1365","0.1147","","","0.2579","0.2693","","","","","","1.19","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060387","13.8277","0.0006","14.1535","0.0007","21.431","0.001","71.268","0.002","78.496","0.002","76.944","0.002","3832.6","0.3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H60 F12 N3 P5 Ru -","- C78 H60 F12 N3 P5 Ru -","- C156 H120 F24 N6 P10 Ru2 -","2","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.1056","0.077","","","0.2125","0.2327","","","","","","1.044","","","","has coordinates,has disorder","263807","2021-04-05","15:10:17",""
"7060388","13.9092","0.0014","14.2075","0.0014","21.287","0.002","72.199","0.005","78.434","0.005","75.908","0.005","3848.3","0.7","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H60 F12 Fe N3 P5 -","- C78 H60 F12 Fe N3 P5 -","- C156 H120 F24 Fe2 N6 P10 -","2","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.1153","0.1005","","","0.2202","0.2293","","","","","","1.132","","","","has coordinates,has disorder","263807","2021-04-05","15:10:17",""
"7060389","33.4946","0.0015","14.0731","0.0007","23.4674","0.0011","90","","90","","90","","11061.9","0.9","150","2","150","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C53.19 H42.37 Cl4.37 N2 P2 Ru -","- C53.1863 H42.3726 Cl4.3726 N2 P2 Ru -","- C425.49 H338.981 Cl34.9808 N16 P16 Ru8 -","8","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.0755","0.0485","","","0.1166","0.1294","","","","","","1.085","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060390","11.9249","0.0004","13.2626","0.0004","13.5191","0.0004","109.108","0.003","95.685","0.003","113.173","0.003","1792.27","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Cu2 N6 O16 V2 -","- C28 H36 Cu2 N6 O16 V2 -","- C56 H72 Cu4 N12 O32 V4 -","2","1","","Sánchez-Lara, Eduardo; García-García, Amalia; González-Vergara, Enrique; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Magneto-structural correlations of cyclo-tetravanadates functionalized with mixed-ligand copper(ii) complexes","New Journal of Chemistry","2021","45","11","5081","5092","10.1039/D0NJ06004F","","x-ray","1.54184","CuKα","","0.0462","0.0372","","","0.0852","0.0913","","","","","","1.054","","","","has coordinates,has disorder","263812","2021-04-05","15:12:02",""
"7060391","8.9373","0.0003","11.4902","0.0004","12.958","0.0004","70.47","0.003","73.209","0.003","80.836","0.003","1197.75","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H52 Cu2 N8 O22 V4 -","- C34 H52 Cu2 N8 O22 V4 -","- C34 H52 Cu2 N8 O22 V4 -","1","0.5","","Sánchez-Lara, Eduardo; García-García, Amalia; González-Vergara, Enrique; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Magneto-structural correlations of cyclo-tetravanadates functionalized with mixed-ligand copper(ii) complexes","New Journal of Chemistry","2021","45","11","5081","5092","10.1039/D0NJ06004F","","","0.71073","MoKα","","0.0726","0.0586","","","0.1502","0.1582","","","","","","1.107","","","","has coordinates,has disorder","263812","2021-04-05","15:12:02",""
"7060392","11.9013","0.0003","12.1828","0.0002","18.226","0.0003","98.0718","0.0016","108.631","0.0019","92.8695","0.0018","2466.59","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 Cu2 N8 O23 V4 -","- C32 H58 Cu2 N8 O23 V4 -","- C64 H116 Cu4 N16 O46 V8 -","2","1","","Sánchez-Lara, Eduardo; García-García, Amalia; González-Vergara, Enrique; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Magneto-structural correlations of cyclo-tetravanadates functionalized with mixed-ligand copper(ii) complexes","New Journal of Chemistry","2021","45","11","5081","5092","10.1039/D0NJ06004F","","x-ray","0.71073","MoKα","","0.0677","0.0609","","","0.144","0.1488","","","","","","1.13","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7060393","13.0867","0.0011","13.5562","0.0013","20.724","0.002","87.641","0.005","83.468","0.005","61.366","0.004","3205.6","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C75.5 H67 N11 -","- C75.5 H67 N11 -","- C151 H134 N22 -","2","1","","Gajula, Ramesh Kumar; Mohanty, Subhrajit; Chakraborty, Manjari; Sarkar, Moloy; Prakash, M. Jaya","An imine linked fluorescent covalent organic cage: the sensing of chloroform vapour and metal ions, and the detection of nitroaromatics","New Journal of Chemistry","2021","45","10","4810","4822","10.1039/D1NJ00434D","","","0.71073","MoKα","","0.1665","0.0765","","","0.1685","0.207","","","","","","1.018","","","","has coordinates,has disorder","263804","2021-04-05","15:09:12",""
"7060394","9.6468","0.0007","15.0615","0.0012","22.4916","0.0015","90","","99.82","0.002","90","","3220","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 F N3 O2 -","- C40 H32 F N3 O2 -","- C160 H128 F4 N12 O8 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.114","0.0582","","","0.1249","0.1474","","","","","","1.015","","","","has coordinates","263810","2021-04-05","15:11:25",""
"7060395","9.215","0.0006","13.2112","0.0008","13.7823","0.0009","113.734","0.0018","105.575","0.0019","95.9208","0.0019","1436.49","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 N3 O2 -","- C36 H33 N3 O2 -","- C72 H66 N6 O4 -","2","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.101","0.0531","","","0.1153","0.1346","","","","","","1.019","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060396","11.7931","0.0006","14.9063","0.0007","16.3539","0.0009","90","","90","","90","","2874.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 N3 O2 -","- C36 H33 N3 O2 -","- C144 H132 N12 O8 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.0927","0.0578","","","0.1307","0.149","","","","","","1.016","","","","has coordinates,has disorder","263810","2021-04-05","15:11:32",""
"7060397","9.7417","0.0009","13.6679","0.0013","14.8331","0.0014","108.461","0.003","108.554","0.003","98.943","0.003","1702.4","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H35 N3 O3 -","- C37 H35 N3 O3 -","- C74 H70 N6 O6 -","2","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.1372","0.0678","","","0.1564","0.1835","","","","","","1.023","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060398","10.1127","0.0007","19.0109","0.0013","21.7708","0.0013","90","","103.43","0.002","90","","4071","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 N4 O3 -","- C48 H50 N4 O3 -","- C192 H200 N16 O12 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.2339","0.0646","","","0.0979","0.1323","","","","","","0.898","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060399","9.596","0.001","15.5753","0.0015","22.487","0.002","90","","98.734","0.004","90","","3321.9","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cl N3 O3 -","- C40 H32 Cl N3 O3 -","- C160 H128 Cl4 N12 O12 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.1026","0.0519","","","0.1073","0.1285","","","","","","1.007","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060400","10.6264","0.0009","14.8156","0.0015","19.576","0.0019","90","","99.66","0.003","90","","3038.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 F N3 O3 -","- C38 H30 F N3 O3 -","- C152 H120 F4 N12 O12 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.1664","0.0729","","","0.1457","0.183","","","","","","1.012","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060401","11.8274","0.0011","18.9122","0.0016","20.32","0.002","90","","104.266","0.003","90","","4405.1","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 N4 O3 -","- C48 H50 N4 O3 -","- C192 H200 N16 O12 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.1839","0.071","","","0.1673","0.2195","","","","","","1.011","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060402","10.2691","0.0011","18.703","0.002","21.629","0.003","90","","101.808","0.004","90","","4066.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 N4 O4 -","- C48 H50 N4 O4 -","- C192 H200 N16 O16 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.1704","0.0604","","","0.1028","0.1326","","","","","","1.01","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060403","14.062","0.003","15.079","0.003","18.326","0.004","101.48","0.005","90.201","0.006","116.475","0.005","3389.9","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H41 N3 O2 -","- C40 H41 N3 O2 -","- C160 H164 N12 O8 -","4","2","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.271","0.0898","","","0.1406","0.1907","","","","","","1.018","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060404","14.2446","0.001","9.5821","0.0006","22.2848","0.0012","90","","90.518","0.002","90","","3041.6","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 N3 O2 -","- C38 H31 N3 O2 -","- C152 H124 N12 O8 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.0963","0.0514","","","0.1073","0.1268","","","","","","1.035","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060405","7.4743","0.0005","15.2098","0.0008","14.2562","0.0008","90","","90","","90","","1620.68","0.17","290","","290","","","","","","","","","3","C 2 e b","C -2ac 2","41","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","0.5","","Yerrabelly, Jayaprakash Rao; Bathini, Pavan Kumar; Yerrabelly, Hemasri; Vadapalli, Kishore","Unusual titanium-induced McMurry coupling of 4-oxo-4H-chromene-2-carbaldehydes enroute to bis-chromones","New Journal of Chemistry","2021","45","10","4705","4709","10.1039/D0NJ04730A","","x-ray","0.71073","MoKα","","0.095","0.0754","","","0.1856","0.2021","","","","","","1.082","","","","has coordinates","263802","2021-04-05","15:08:46",""
"7060406","13.5335","0.0011","16.5838","0.0014","19.9675","0.0017","90","","90.12","0.001","90","","4481.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Mo12 N8 O40 Si -","- C12 H20 Mo12 N8 O40 Si -","- C48 H80 Mo48 N32 O160 Si4 -","4","1","","Sabarinathan, C.; Karthikeyan, M.; Murugappan, R. M.; Anthony, Savarimuthu Philip; Shankar, Bhaskaran; Parthasarathy, Kannabiran; Arumuganathan, T.","Polyoxometalate based ionic crystal: dual applications in selective colorimetric sensor for hydrated ZnCl2 and antimicrobial activity","New Journal of Chemistry","2021","45","12","5576","5588","10.1039/D1NJ00138H","","","0.71073","MoKα","","0.0975","0.082","","","0.2092","0.2237","","","","","","1.04","","","","has coordinates,has disorder","263817","2021-04-05","15:12:34",""
"7060407","18.654","0.0005","10.7253","0.0003","20.2024","0.0006","90","","90","","90","","4041.9","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Ruthenium phenanthroline compound","Ruthenium phenanthroline compound","","- C40 H28 F12 N8 P2 Ru -","- C40 H28 F12 N8 P2 Ru -","- C160 H112 F48 N32 P8 Ru4 -","4","1","","Deshpande, Megha S.; Morajkar, Sudesh M.; Srinivasan, Bikshandarkoil R.; Ahirwar, Mini Bharati; Deshmukh, Milind M.","Effect of the electronic structure on the robustness of ruthenium(ii) bis-phenanthroline compounds for photodissociation of the co-ligand: synthesis, structural characterization, and density functional theory study","New Journal of Chemistry","2021","45","12","5437","5451","10.1039/D0NJ05921H","","","0.71073","MoKα","","0.0356","0.0289","","","0.0672","0.0732","","","","","","1.051","","","","has coordinates","263815","2021-04-05","15:12:21",""
"7060408","12.8995","0.0007","18.7091","0.001","18.0277","0.001","90","","109.147","0.002","90","","4110.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Gd2 N9 Ni O18 -","- C30 H39 Gd2 N9 Ni O18 -","- C120 H156 Gd8 N36 Ni4 O72 -","4","1","","Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita","Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)","New Journal of Chemistry","2021","45","11","5258","5265","10.1039/D0NJ05812B","","","0.71073","MoKα","","0.0475","0.0372","","","0.0757","0.0834","","","","","","1.176","","","","has coordinates,has disorder","263808","2021-04-05","15:10:36",""
"7060409","11.4638","0.0007","12.0205","0.0008","14.4633","0.0009","82.674","0.002","68.567","0.002","76.004","0.002","1798.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 Cl2 N4 Ni O14 -","- C28 H42 Cl2 N4 Ni O14 -","- C56 H84 Cl4 N8 Ni2 O28 -","2","1","","Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita","Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)","New Journal of Chemistry","2021","45","11","5258","5265","10.1039/D0NJ05812B","","","0.71073","MoKα","","0.0902","0.0787","","","0.2523","0.2682","","","","","","1.106","","","","has coordinates,has disorder","263808","2021-04-05","15:10:37",""
"7060410","12.8433","0.0012","18.6429","0.0017","17.9984","0.0016","90","","108.867","0.004","90","","4077.9","0.7","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 N9 Ni O18 Tb2 -","- C30 H39 N9 Ni O18 Tb2 -","- C120 H156 N36 Ni4 O72 Tb8 -","4","1","","Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita","Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)","New Journal of Chemistry","2021","45","11","5258","5265","10.1039/D0NJ05812B","","","0.71073","MoKα","","0.0856","0.0686","","","0.1618","0.1781","","","","","","1.061","","","","has coordinates,has disorder","263808","2021-04-05","15:10:37",""
"7060411","12.8244","0.0006","18.6644","0.0008","17.9432","0.0008","90","","108.793","0.002","90","","4065.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Ho2 N9 Ni O18 -","- C30 H39 Ho2 N9 Ni O18 -","- C120 H156 Ho8 N36 Ni4 O72 -","4","1","","Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita","Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)","New Journal of Chemistry","2021","45","11","5258","5265","10.1039/D0NJ05812B","","","0.71073","MoKα","","0.063","0.0411","","","0.0922","0.1043","","","","","","1.022","","","","has coordinates,has disorder","263808","2021-04-05","15:10:37",""
"7060412","12.8472","0.0008","18.6399","0.0012","17.9789","0.0011","90","","108.883","0.002","90","","4073.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Dy2 N9 Ni O18 -","- C30 H39 Dy2 N9 Ni O18 -","- C120 H156 Dy8 N36 Ni4 O72 -","4","1","","Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita","Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)","New Journal of Chemistry","2021","45","11","5258","5265","10.1039/D0NJ05812B","","","0.71073","MoKα","","0.048","0.0376","","","0.0735","0.0818","","","","","","1.225","","","","has coordinates,has disorder","263808","2021-04-05","15:10:37",""
"7060413","17.535","0.002","26.456","0.002","9.6766","0.001","90","","103.953","0.011","90","","4356.6","0.8","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H21 F10 N7 O -","- C44 H21 F10 N7 O -","- C176 H84 F40 N28 O4 -","4","1","","Fang, Jun-Jia; Lan, Jian; Yang, Gang; Yuan, Gao-Qing; Liu, Hai-Yang; Si, Li-Ping","Synthesis of cobalt A2B triaryl corroles bearing aldehyde and amide pyridyl groups and their performance in electrocatalytic hydrogen evolution","New Journal of Chemistry","2021","45","11","5127","5136","10.1039/D0NJ04953K","","x-ray","1.54184","CuKα","","0.1632","0.0998","","","0.2629","0.323","","","","","","0.997","","","","has coordinates,has disorder","263809","2021-04-05","15:10:53",""
"7060414","41.43","0.004","16.3457","0.0014","12.9588","0.0016","90","","90","","90","","8775.7","1.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H21 F10 N7 O -","- C44 H21 F10 N7 O -","- C352 H168 F80 N56 O8 -","8","1","","Fang, Jun-Jia; Lan, Jian; Yang, Gang; Yuan, Gao-Qing; Liu, Hai-Yang; Si, Li-Ping","Synthesis of cobalt A2B triaryl corroles bearing aldehyde and amide pyridyl groups and their performance in electrocatalytic hydrogen evolution","New Journal of Chemistry","2021","45","11","5127","5136","10.1039/D0NJ04953K","","x-ray","1.54184","CuKα","","0.1388","0.0851","","","0.2324","0.2883","","","","","","1.017","","","","has coordinates","263809","2021-04-05","15:10:54",""
"7060415","8.5533","0.0005","12.3838","0.0007","23.3415","0.0012","94.017","0.004","93.627","0.005","93.244","0.005","2456.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H28 Co F10 N4 O P -","- C56 H28 Co F10 N4 O P -","- C112 H56 Co2 F20 N8 O2 P2 -","2","1","","Fang, Jun-Jia; Lan, Jian; Yang, Gang; Yuan, Gao-Qing; Liu, Hai-Yang; Si, Li-Ping","Synthesis of cobalt A2B triaryl corroles bearing aldehyde and amide pyridyl groups and their performance in electrocatalytic hydrogen evolution","New Journal of Chemistry","2021","45","11","5127","5136","10.1039/D0NJ04953K","","x-ray","0.71073","MoKα","","0.0723","0.051","","","0.1117","0.1221","","","","","","1.053","","","","has coordinates","263809","2021-04-05","15:10:54",""
"7060416","14.6531","0.0006","32.9883","0.0015","10.9968","0.0004","90","","103.16","0.004","90","","5176","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H28 Co F10 N4 O P -","- C56 H28 Co F10 N4 O P -","- C224 H112 Co4 F40 N16 O4 P4 -","4","1","","Fang, Jun-Jia; Lan, Jian; Yang, Gang; Yuan, Gao-Qing; Liu, Hai-Yang; Si, Li-Ping","Synthesis of cobalt A2B triaryl corroles bearing aldehyde and amide pyridyl groups and their performance in electrocatalytic hydrogen evolution","New Journal of Chemistry","2021","45","11","5127","5136","10.1039/D0NJ04953K","","x-ray","1.54184","CuKα","","0.1385","0.0768","","","0.1692","0.1942","","","","","","1.048","","","","has coordinates","263809","2021-04-05","15:10:54",""
"7060417","9.125","0.002","9.125","0.002","44.906","0.012","90","","90","","90","","3739.1","1.5","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","tpyZn","","","- C40 H32 N10 O8 Zn -","- C40 H32 N10 O8 Zn -","- C160 H128 N40 O32 Zn4 -","4","1","","Jiang, Qin; Yang, Xinda; Xiang, Pan; Dudek, Marta; Matczyszyn, Katarzyna; Samoc, Marek; Tian, Xiaohe; Zhang, Qiong; Luo, Yuhui; Wang, Daqi; Shi, Pengfei","Self-assembled heterometallic complexes showing enhanced two-photon absorption and their distribution in living cells","New Journal of Chemistry","2021","45","11","4994","5001","10.1039/D0NJ05219A","","","0.71073","MoKα","","0.0458","0.0388","","","0.0875","0.0906","","","","","","1.018","","","","has coordinates","263811","2021-04-05","15:11:48",""
"7060418","9.053","0.007","12.444","0.01","21.163","0.017","84.573","0.013","83.905","0.012","89.958","0.012","2360","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","tpyRu","","","- C48 H62 F12 N10 O7 P2 Ru -","- C35 H25 F12 N7 P2 Ru -","- C70 H50 F24 N14 P4 Ru2 -","2","1","","Jiang, Qin; Yang, Xinda; Xiang, Pan; Dudek, Marta; Matczyszyn, Katarzyna; Samoc, Marek; Tian, Xiaohe; Zhang, Qiong; Luo, Yuhui; Wang, Daqi; Shi, Pengfei","Self-assembled heterometallic complexes showing enhanced two-photon absorption and their distribution in living cells","New Journal of Chemistry","2021","45","11","4994","5001","10.1039/D0NJ05219A","","","0.71073","MoKα","","0.1913","0.1276","","","0.3285","0.3727","","","","","","1.002","","","","has coordinates","263811","2021-04-05","15:11:49",""
"7060419","28.21","0.02","59.04","0.04","8.653","0.007","90","","90","","90","","14412","18","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","RuPt","","","- C62 H70 F24 N10 O5 P4 Pt Ru -","- C50 H36 F24 N10 P4 Pt Ru -","- C400 H288 F192 N80 P32 Pt8 Ru8 -","8","1","","Jiang, Qin; Yang, Xinda; Xiang, Pan; Dudek, Marta; Matczyszyn, Katarzyna; Samoc, Marek; Tian, Xiaohe; Zhang, Qiong; Luo, Yuhui; Wang, Daqi; Shi, Pengfei","Self-assembled heterometallic complexes showing enhanced two-photon absorption and their distribution in living cells","New Journal of Chemistry","2021","45","11","4994","5001","10.1039/D0NJ05219A","","","0.71073","MoKα","","0.2298","0.0882","","","0.1158","0.1332","","","","","","0.982","","","","has coordinates","263811","2021-04-05","15:11:49",""
"7060420","9.179","0.003","12.056","0.004","21.623","0.007","96.203","0.005","99.507","0.005","92.535","0.005","2341.5","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H62 F12 N10 O2 P2 Ru -","- C47 H49 F6 N7 P Ru -","- C94 H98 F12 N14 P2 Ru2 -","2","1","","Jiang, Qin; Yang, Xinda; Xiang, Pan; Dudek, Marta; Matczyszyn, Katarzyna; Samoc, Marek; Tian, Xiaohe; Zhang, Qiong; Luo, Yuhui; Wang, Daqi; Shi, Pengfei","Self-assembled heterometallic complexes showing enhanced two-photon absorption and their distribution in living cells","New Journal of Chemistry","2021","45","11","4994","5001","10.1039/D0NJ05219A","","","0.71073","MoKα","","0.1708","0.0657","","","0.0886","0.1079","","","","","","1.005","","","","has coordinates","263811","2021-04-05","15:11:49",""
"7060421","14.6919","0.0005","14.6919","0.0005","6.9649","0.0003","90","","90","","120","","1301.97","0.08","120","2","120","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C27 H34 S3 Si -","- C27 H34 S3 Si -","- C54 H68 S6 Si2 -","2","0.166667","","Anisimov, Anton A.; Temnikov, Maxim N.; Krizhanovskiy, Ilya; Timoshina, Ekaterina I.; Milenin, Sergey A.; Peregudov, Alexander S.; Dolgushin, Fedor M.; Muzafarov, Aziz M.","A thiol‒ene click reaction with preservation of the Si‒H bond: a new approach for the synthesis of functional organosilicon compounds","New Journal of Chemistry","2021","45","13","5764","5769","10.1039/D1NJ00411E","","","0.71073","MoKα","","0.033","0.0324","","","0.0838","0.0843","","","","","","1.045","","","","has coordinates","264926","2021-05-05","08:55:57",""
"7060422","8.0403","0.0007","13.5577","0.0009","14.0775","0.0007","68.65","0.005","76.418","0.006","81.653","0.006","1386.26","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cl0 N O -","- C9.33333 Cl0.666667 N0.666667 O2.66667 -","- C56 Cl4 N4 O16 -","6","3","","Chen, Min; Geng, Chun-Wen; Han, Ling; Liu, Yu; Yu, Yong-Kai; Lu, Ai-Min; Yang, Chun-Long; Li, Guo-Hua","Design, synthesis, crystal structure, and herbicidal activity of novel pyrrolidine-2,4-dione derivatives incorporating an alkyl ether pharmacophore with natural tetramic acids as lead compounds","New Journal of Chemistry","2021","45","12","5621","5630","10.1039/D1NJ00119A","","x-ray","1.54184","CuKα","","0.0869","0.077","","","0.2478","0.2684","","","","","","1.039","","","","has coordinates","263816","2021-04-05","15:12:27",""
"7060423","21.3768","0.0007","11.2447","0.0003","30.5394","0.0014","90","","105.3","0.004","90","","7080.7","0.5","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C68 H78 N16 Ni5 O12 -","- C68 H78 N16 Ni5 O12 -","- C272 H312 N64 Ni20 O48 -","4","0.5","","Richa,; Rathnam, Muni; Kumar, Akhilesh; Verma, Indresh; Kłak, Julia; Cano, Joan; Mota, Antonio J.; Rajput, Amit; Arora, Himanshu","Discrete unusual mixed-bridged trinuclear CoIII2CoII and pentanuclear NiII coordination complexes supported by a phenolate-based ligand: theoretical and experimental magneto-structural study","New Journal of Chemistry","2021","45","13","6053","6066","10.1039/D1NJ00228G","","","0.71073","MoKα","","0.0439","0.0347","","","0.0828","0.0884","","","","","","1.075","","","","has coordinates","264922","2021-05-05","08:55:05",""
"7060424","19.6157","0.0008","15.3792","0.0006","28.243","0.0009","90","","90","","90","","8520.2","0.6","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C64 H72 Co6 N32 O12 -","- C64 H72 Co6 N32 O12 -","- C256 H288 Co24 N128 O48 -","4","0.5","","Richa,; Rathnam, Muni; Kumar, Akhilesh; Verma, Indresh; Kłak, Julia; Cano, Joan; Mota, Antonio J.; Rajput, Amit; Arora, Himanshu","Discrete unusual mixed-bridged trinuclear CoIII2CoII and pentanuclear NiII coordination complexes supported by a phenolate-based ligand: theoretical and experimental magneto-structural study","New Journal of Chemistry","2021","45","13","6053","6066","10.1039/D1NJ00228G","","","1.54184","CuKα","","0.0894","0.0546","","","0.1453","0.1702","","","","","","1.028","","","","has coordinates","264922","2021-05-05","08:55:05",""
"7060425","15.872","0.002","6.0495","0.0004","16.2381","0.0019","90","","106.271","0.011","90","","1496.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N3 O4 -","- C15 H14 Cl N3 O4 -","- C60 H56 Cl4 N12 O16 -","4","1","","Popova, Alexandra V.; Kanaa, Ali; Vavilova, Vladislava S.; Mironova, Maria A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Design, synthesis, and photophysics of bi- and tricyclic fused pyrazolines","New Journal of Chemistry","2021","45","14","6315","6326","10.1039/D0NJ06287A","","","0.71073","MoKα","","0.1098","0.038","","","0.0568","0.0606","","","","","","1.003","","","","has coordinates","264928","2021-05-05","08:56:21",""
"7060426","11.5162","0.0017","7.2314","0.0009","16.393","0.003","90","","95.819","0.014","90","","1358.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Popova, Alexandra V.; Kanaa, Ali; Vavilova, Vladislava S.; Mironova, Maria A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Design, synthesis, and photophysics of bi- and tricyclic fused pyrazolines","New Journal of Chemistry","2021","45","14","6315","6326","10.1039/D0NJ06287A","","","0.71073","MoKα","","0.1073","0.0398","","","0.0975","0.1056","","","","","","0.742","","","","has coordinates","264928","2021-05-05","08:56:31",""
"7060427","12.07","0.002","14.792","0.002","15.045","0.002","66.17","0.02","66.53","0.02","66.61","0.02","2162.8","0.7","100","0.11","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C12 H64 Eu N4 Na6 O32 P4 -","- C12 H54 Eu N4 Na6 O32 P4 -","- C24 H108 Eu2 N8 Na12 O64 P8 -","2","1","","Starynowicz, Przemysław","Complexes of divalent europium with dotp and dotpph","New Journal of Chemistry","2021","45","13","5879","5889","10.1039/D1NJ00393C","","x-ray","0.71073","MoKα","","0.051","0.0409","","","0.0895","0.0937","","","","","","1.086","","","","has coordinates","264923","2021-05-05","08:55:15",""
"7060428","15.436","0.005","12.4","0.003","23.987","0.007","90","","90.16","0.03","90","","4591","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Eu N10 O10 P4 -","- C38 H60 Eu N10 O10 P4 -","- C152 H240 Eu4 N40 O40 P16 -","4","1","","Starynowicz, Przemysław","Complexes of divalent europium with dotp and dotpph","New Journal of Chemistry","2021","45","13","5879","5889","10.1039/D1NJ00393C","","","0.71073","MoKα","","0.0668","0.0427","","","0.081","0.0896","","","","","","1.029","","","","has coordinates","264923","2021-05-05","08:55:15",""
"7060430","9.1202","0.0006","10.5184","0.0006","13.8101","0.0008","93.211","0.003","95.761","0.003","108.941","0.003","1241.2","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 B0 Br N2 -","- C33 H25 Br N2 -","- C66 H50 Br2 N4 -","2","1","","Xia, Youfu; Du, Yanqing; Xiang, Qian; Humphrey, Mark G.","Highly efficient room-temperature phosphorescent materials with a heavy-atom effect of bromine","New Journal of Chemistry","2021","45","11","4930","4933","10.1039/D0NJ05713D","","","0.71073","MoKα","","0.0326","0.0276","","","0.0702","0.0726","","","","","","1.069","","","","has coordinates","263813","2021-04-05","15:12:08",""
"7060431","8.6776","0.0004","13.1444","0.0005","15.7153","0.0006","68.612","0.002","80.333","0.003","86.144","0.002","1645.33","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H32 Br N3 -","- C45 H32 Br N3 -","- C90 H64 Br2 N6 -","2","1","","Xia, Youfu; Du, Yanqing; Xiang, Qian; Humphrey, Mark G.","Highly efficient room-temperature phosphorescent materials with a heavy-atom effect of bromine","New Journal of Chemistry","2021","45","11","4930","4933","10.1039/D0NJ05713D","","","0.71073","MoKα","","0.0748","0.0464","","","0.0944","0.1043","","","","","","1.013","","","","has coordinates","263813","2021-04-05","15:12:09",""
"7060432","32.804","0.005","12.6273","0.0015","27.092","0.004","90","","122.688","0.004","90","","9445","2","291.48","","291.48","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H31 F6 Ir N7 O2 P -","- C46 H31 F6 Ir N7 O2 P -","- C368 H248 F48 Ir8 N56 O16 P8 -","8","1","","Akhtar, Mansoor; Arif, Ali Muhammad; Ullah Khan, Shifa; Shan, Guo-Gang; Xu, Hong-liang; Su, Zhong-Min","Tuning the NLO response of bis-cyclometalated iridium(iii) complexes by modifying ligands: experimental and structural DFT analysis","New Journal of Chemistry","2021","45","12","5491","5496","10.1039/D1NJ00114K","","","0.71073","MoKα","","0.0787","0.0688","","","0.1563","0.1601","","","","","","1.235","","","","has coordinates,has disorder","263818","2021-04-05","15:12:42",""
"7060433","12.2395","0.0006","15.3428","0.0006","13.999","0.0006","90","","114.344","0.005","90","","2395.1","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 S2 -","- C22 H26 N4 S2 -","- C88 H104 N16 S8 -","4","1","","Mannarsamy, Maruthupandi; Prabusankar, Ganesan","Rare proximity enforced copper hydrogen interactions in copper(i)-chalcogenones","New Journal of Chemistry","2021","45","13","5933","5938","10.1039/D1NJ00397F","","x-ray","1.54184","CuKα","","0.0608","0.0436","","","0.1235","0.14","","","","","","1.0269","","","","has coordinates","264925","2021-05-05","08:55:51",""
"7060434","33.0313","0.0004","13.34528","0.00014","22.2766","0.0002","90","","92.7456","0.001","90","","9808.52","0.18","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 B Cu F4 N8 S4 -","- C44 H52 B Cu F4 N8 S4 -","- C352 H416 B8 Cu8 F32 N64 S32 -","8","1","","Mannarsamy, Maruthupandi; Prabusankar, Ganesan","Rare proximity enforced copper hydrogen interactions in copper(i)-chalcogenones","New Journal of Chemistry","2021","45","13","5933","5938","10.1039/D1NJ00397F","","x-ray","1.54184","CuKα","","0.0612","0.0506","","","0.1566","0.1726","","","","","","1.05","","","","has coordinates","264925","2021-05-05","08:55:51",""
"7060435","33.4425","0.0004","13.3162","0.0002","22.4856","0.0003","90","","91.9405","0.0011","90","","10007.7","0.2","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 B Cu F4 N8 Se4 -","- C44 H52 B Cu F4 N8 Se4 -","- C352 H416 B8 Cu8 F32 N64 Se32 -","8","1","","Mannarsamy, Maruthupandi; Prabusankar, Ganesan","Rare proximity enforced copper hydrogen interactions in copper(i)-chalcogenones","New Journal of Chemistry","2021","45","13","5933","5938","10.1039/D1NJ00397F","","x-ray","1.54184","CuKα","","0.0539","0.0409","","","0.1216","0.1413","","","","","","1.0112","","","","has coordinates","264925","2021-05-05","08:55:51",""
"7060436","12.4561","0.0006","17.139","0.0005","13.9847","0.0007","92.281","0.003","81.867","0.004","96.178","0.003","2937.4","0.2","109","2","109","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 Cr2 N8 O31 V2 -","- C48 H54 Cr2 N8 O31 V2 -","- C96 H108 Cr4 N16 O62 V4 -","2","1","","Androš Dubraja, Lidija; Žilić, Dijana; Olujić, Kristina; Pavić, Luka; Molčanov, Krešimir; Pajić, Damir","Targeted synthesis of a CrIII‒O‒VV core oxo-bridged complex: spectroscopic, magnetic and electrical properties","New Journal of Chemistry","2021","45","14","6336","6343","10.1039/D1NJ00430A","","","1.54184","CuKα","","0.1004","0.069","","","0.185","0.2115","","","","","","1.028","","","","has coordinates","264932","2021-05-05","08:57:19",""
"7060437","13.193","0.009","14.898","0.01","18.494","0.01","97.25","0.02","105.386","0.019","105.82","0.03","3294","4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C120 H80 B2 Cl6 F48 N6 Na2 O8 -","- C120 H80 B2 Cl6 F48 N6 Na2 O8 -","- C120 H80 B2 Cl6 F48 N6 Na2 O8 -","1","0.5","","D'Amato, Assunta; Schettini, Rosaria; Pierri, Giovanni; Izzo, Irene; Grisi, Fabia; Tedesco, Consiglia; De Riccardis, Francesco; Costabile, Chiara","Synthesis and characterization of new Na+ complexes of N-benzyl cyclic peptoids and their role in the ring opening polymerization of l-lactide","New Journal of Chemistry","2021","45","12","5410","5420","10.1039/D0NJ05931E","","","1.54178","CuKα","","0.1339","0.1007","","","0.2795","0.3116","","","","","","1.017","","","","has coordinates,has disorder","263814","2021-04-05","15:12:14",""
"7060438","7.2638","0.0003","11.8595","0.0005","13.0619","0.0006","72.35","0.002","78.127","0.002","76.793","0.002","1032.53","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H30 Cu2 N11 O9 -","- C43 H30 Cu2 N11 O9 -","- C43 H30 Cu2 N11 O9 -","1","0.5","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.0437","0.0392","","","0.1097","0.1122","","","","","","1.09","","","","has coordinates,has disorder","264929","2021-05-05","08:56:43",""
"7060439","10.0002","0.001","10.087","0.001","13.5209","0.0014","98.126","0.004","94.279","0.004","112.649","0.003","1233.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Co N6 O4 -","- C26 H21 Co N6 O4 -","- C52 H42 Co2 N12 O8 -","2","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.1254","0.0633","","","0.1288","0.1539","","","","","","1.015","","","","has coordinates","264929","2021-05-05","08:56:44",""
"7060440","14.5651","0.0008","15.7498","0.0009","16.6824","0.0009","90","","104.218","0.0014","90","","3709.7","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N5 O4 Zn -","- C20 H15 N5 O4 Zn -","- C160 H120 N40 O32 Zn8 -","8","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.0716","0.0466","","","0.109","0.1226","","","","","","1.04","","","","has coordinates","264929","2021-05-05","08:56:44",""
"7060441","7.8286","0.0003","17.0971","0.0007","16.1032","0.0007","90","","95.512","0.001","90","","2145.39","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N5 O6 Zn -","- C21 H21 N5 O6 Zn -","- C84 H84 N20 O24 Zn4 -","4","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.0521","0.0427","","","0.1214","0.1272","","","","","","1.027","","","","has coordinates,has disorder","264929","2021-05-05","08:56:44",""
"7060442","27.0143","0.0015","10.0527","0.0006","20.5229","0.0012","90","","111.043","0.002","90","","5201.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H48 Mn2 N13 O10 -","- C55 H48 Mn2 N13 O10 -","- C220 H192 Mn8 N52 O40 -","4","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.1095","0.084","","","0.2198","0.2316","","","","","","1","","","","has coordinates,has disorder","264929","2021-05-05","08:56:44",""
"7060443","12.7472","0.0015","17.173","0.002","13.6504","0.0016","90","","110.216","0.003","90","","2804.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Cd N8 O8 -","- C28 H19 Cd N8 O8 -","- C112 H76 Cd4 N32 O32 -","4","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.073","0.0461","","","0.099","0.1073","","","","","","1.309","","","","has coordinates","264929","2021-05-05","08:56:44",""
"7060444","15.1952","0.0007","17.0749","0.0009","17.2622","0.0009","115.355","0.002","112.757","0.001","92.171","0.002","3619.3","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H63 N18 Ni3 O12 -","- C78 H63 N18 Ni3 O12 -","- C156 H126 N36 Ni6 O24 -","2","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.1517","0.0796","","","0.1878","0.2474","","","","","","1.091","","","","has coordinates","264929","2021-05-05","08:56:44",""
"7060445","12.5557","0.0005","12.7795","0.0007","12.875","0.0007","61.256","0.006","72.894","0.004","84.428","0.004","1728.75","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 Ag6 Cd2 N14 O22 S6 -","- C44 H46 Ag6 Cd2 N14 O22 S6 -","- C44 H46 Ag6 Cd2 N14 O22 S6 -","1","0.5","","Sarkar, Anupam; Jana, Ajay Kumar; Natarajan, Srinivasan","Aliphatic amine mediated assembly of [M6(mna)6] (M = Cu/Ag) into extended two-dimensional structures: synthesis, structure and Lewis acid catalytic studies","New Journal of Chemistry","2021","45","14","6503","6511","10.1039/D1NJ00544H","","","0.71073","MoKα","","0.0383","0.0348","","","0.0853","0.0876","","","","","","1.03","","","","has coordinates","264931","2021-05-05","08:57:11",""
"7060446","11.6027","0.0005","12.0784","0.0004","12.2986","0.0005","64.612","0.004","82.183","0.004","75.63","0.004","1507.52","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Cd Cu6 N12 O22 S6 -","- C42 H44 Cd Cu6 N12 O22 S6 -","- C42 H44 Cd Cu6 N12 O22 S6 -","1","0.5","","Sarkar, Anupam; Jana, Ajay Kumar; Natarajan, Srinivasan","Aliphatic amine mediated assembly of [M6(mna)6] (M = Cu/Ag) into extended two-dimensional structures: synthesis, structure and Lewis acid catalytic studies","New Journal of Chemistry","2021","45","14","6503","6511","10.1039/D1NJ00544H","","","0.71073","MoKα","","0.0486","0.0426","","","0.1027","0.1088","","","","","","0.899","","","","has coordinates","264931","2021-05-05","08:57:12",""
"7060447","11.8171","0.0011","12.2377","0.001","12.5376","0.0011","65.73","0.004","81.992","0.005","76.182","0.004","1603.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Ag6 Cd N12 O22 S6 -","- C42 H44 Ag6 Cd N12 O22 S6 -","- C42 H44 Ag6 Cd N12 O22 S6 -","1","0.5","","Sarkar, Anupam; Jana, Ajay Kumar; Natarajan, Srinivasan","Aliphatic amine mediated assembly of [M6(mna)6] (M = Cu/Ag) into extended two-dimensional structures: synthesis, structure and Lewis acid catalytic studies","New Journal of Chemistry","2021","45","14","6503","6511","10.1039/D1NJ00544H","","","0.71073","MoKα","","0.0388","0.0301","","","0.0871","0.0969","","","","","","0.949","","","","has coordinates","264931","2021-05-05","08:57:12",""
"7060448","4.9758","0.0002","13.6254","0.0005","15.0972","0.0006","63.661","0.001","84.372","0.001","82.324","0.001","908.2","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C40 H40 N8 O8 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Devaraj, Thangaraj; Murugan, Abinayaselvi; Lin, Chia-Her; Jothi, Mathivanan; Murugesapandian, Balasubramanian","A new 7-diethylamino-4-hydroxycoumarin based reversible colorimetric/fluorometric probe for sequential detection of Al3+/PPi and its potential use in biodetection and bioimaging applications","New Journal of Chemistry","2021","45","13","6067","6079","10.1039/D0NJ05718E","","","0.71073","MoKα","","0.1088","0.0868","","","0.2355","0.2509","","","","","","1.09","","","","has coordinates","264927","2021-05-05","08:56:04",""
"7060449","12.4372","0.0005","7.2932","0.0002","16.2417","0.0006","90","","108.876","0.004","90","","1394.01","0.09","298.8","0.6","298.8","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C56 Cl4 N8 O12 -","- C56 Cl4 N8 O12 -","- C56 Cl4 N8 O12 -","1","0.5","","Kakati, Praachi; Singh, Preeti; Yadav, Priyanka; Awasthi, Satish Kumar","Aiding the versatility of simple ammonium ionic liquids by the synthesis of bioactive 1,2,3,4-tetrahydropyrimidine, 2-aminothiazole and quinazolinone derivatives","New Journal of Chemistry","2021","45","15","6724","6738","10.1039/D1NJ00280E","","x-ray","0.71073","MoKα","","0.2272","0.1831","","","0.4501","0.4857","","","","","","2.6068","","","","has coordinates","264938","2021-05-05","08:59:40",""
"7060450","7.2836","0.0004","12.247","0.0007","13.7125","0.0008","75.781","0.005","74.928","0.005","89.897","0.005","1142.4","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5.5 H6.25 N O S0.5 -","- C5.5 H6.25 N O S0.5 -","- C44 H50 N8 O8 S4 -","8","4","","Kakati, Praachi; Singh, Preeti; Yadav, Priyanka; Awasthi, Satish Kumar","Aiding the versatility of simple ammonium ionic liquids by the synthesis of bioactive 1,2,3,4-tetrahydropyrimidine, 2-aminothiazole and quinazolinone derivatives","New Journal of Chemistry","2021","45","15","6724","6738","10.1039/D1NJ00280E","","x-ray","0.71073","MoKα","","0.0766","0.0531","","","0.1176","0.1329","","","","","","1.038","","","","has coordinates","264938","2021-05-05","08:59:40",""
"7060451","16.6045","0.0002","20.8678","0.0003","19.2934","0.0003","90","","98.971","0.001","90","","6603.37","0.16","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H42.2 Mo12 N Na10 O77.6 Se2 -","- C6 Mo12 N Na10 O77.6 Se2 -","- C24 Mo48 N4 Na40 O310.4 Se8 -","4","1","","Pantyukhina, Valeria S.; Volchek, Victoria V.; Komarov, Vladislav Yu.; Korolkov, Ilya V.; Kokovkin, Vasily V.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Tubular polyoxoanion [(SeMo6O21)2(C2O4)3]10− and its transformations","New Journal of Chemistry","2021","45","15","6745","6752","10.1039/D1NJ00421B","","x-ray","0.71073","MoKα","","0.0436","0.0333","","","0.0796","0.0833","","","","","","1.054","","","","has coordinates","264933","2021-05-05","08:57:37",""
"7060452","10.5584","0.0009","13.5966","0.001","20.6658","0.0016","97.457","0.003","92.579","0.003","109.222","0.003","2765.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H16 Mo12 N0.5 Na10.5 O63.5 Se2 -","- C6 Mo12 N0.5 Na10.5 O63.5 Se2 -","- C12 Mo24 N Na21 O127 Se4 -","2","1","","Pantyukhina, Valeria S.; Volchek, Victoria V.; Komarov, Vladislav Yu.; Korolkov, Ilya V.; Kokovkin, Vasily V.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Tubular polyoxoanion [(SeMo6O21)2(C2O4)3]10− and its transformations","New Journal of Chemistry","2021","45","15","6745","6752","10.1039/D1NJ00421B","","x-ray","0.71073","MoKα","","0.1249","0.1026","","","0.2153","0.2253","","","","","","1.118","","","","has coordinates,has disorder","264933","2021-05-05","08:57:37",""
"7060453","15.8296","0.0001","18.5387","0.0001","25.6801","0.0003","89.128","0.001","88.474","0.001","89.873","0.001","7532.53","0.11","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H111 Mo8 N5 Na2 O29 -","- C50 H111 Mo8 N5 Na2 O29 -","- C200 H444 Mo32 N20 Na8 O116 -","4","2","","Pantyukhina, Valeria S.; Volchek, Victoria V.; Komarov, Vladislav Yu.; Korolkov, Ilya V.; Kokovkin, Vasily V.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Tubular polyoxoanion [(SeMo6O21)2(C2O4)3]10− and its transformations","New Journal of Chemistry","2021","45","15","6745","6752","10.1039/D1NJ00421B","","x-ray","0.71073","MoKα","","0.044","0.0348","","","0.0772","0.08","","","","","","1.155","","","","has coordinates","264933","2021-05-05","08:57:37",""
"7060454","12.3426","0.0007","6.9034","0.0004","20.5241","0.0011","90","","92.576","0.001","90","","1747.01","0.17","273","2","273.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H40 Mn N4 O16 -","- C32 H40 Mn N4 O16 -","- C64 H80 Mn2 N8 O32 -","2","0.5","","Zhao, Guozheng; Liu, Wenya; Yuan, Fang; Liu, Jinjian","Three Mn‒viologen complexes containing 1-carboxyethyl-4,4′-bipyridinium: crystal structures, photochromism and theoretical calculations","New Journal of Chemistry","2021","45","15","6787","6795","10.1039/D0NJ06279K","","","0.71073","MoKα","","0.0638","0.0594","","","0.1689","0.1724","","","","","","1.115","","","","has coordinates,has disorder","264939","2021-05-05","08:59:50",""
"7060455","22.9837","0.0013","6.9704","0.0003","24.5066","0.0013","90","","117.498","0.007","90","","3482.6","0.4","293","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Mn N4 O16 -","- C32 H40 Mn N4 O16 -","- C128 H160 Mn4 N16 O64 -","4","0.5","","Zhao, Guozheng; Liu, Wenya; Yuan, Fang; Liu, Jinjian","Three Mn‒viologen complexes containing 1-carboxyethyl-4,4′-bipyridinium: crystal structures, photochromism and theoretical calculations","New Journal of Chemistry","2021","45","15","6787","6795","10.1039/D0NJ06279K","","","0.71073","MoKα","","0.06","0.0426","","","0.0921","0.1034","","","","","","1.031","","","","has coordinates","264939","2021-05-05","08:59:50",""
"7060456","6.9616","0.001","11.8671","0.0017","22.471","0.003","87.899","0.003","84.516","0.003","77.151","0.003","1801.4","0.4","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Mn N4 O17 S -","- C30 H40 Mn N4 O17 S -","- C60 H80 Mn2 N8 O34 S2 -","2","1","","Zhao, Guozheng; Liu, Wenya; Yuan, Fang; Liu, Jinjian","Three Mn‒viologen complexes containing 1-carboxyethyl-4,4′-bipyridinium: crystal structures, photochromism and theoretical calculations","New Journal of Chemistry","2021","45","15","6787","6795","10.1039/D0NJ06279K","","","0.71073","MoKα","","0.0533","0.0404","","","0.0969","0.1044","","","","","","1.029","","","","has coordinates","264939","2021-05-05","08:59:50",""
"7060457","25.0876","0.0011","5.2205","0.0002","22.5474","0.0009","90","","120.386","0.001","90","","2547.39","0.18","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 B2 F4 N4 Se2 -","- C26 H24 B2 F4 N4 Se2 -","- C104 H96 B8 F16 N16 Se8 -","4","0.5","","Hasegawa, Ryohei; Iwakiri, Shinji; Kubo, Yuji","Synthesis and triplet sensitization of bis(arylselanyl)BOPHYs; potential application in triplet‒triplet annihilation upconversion","New Journal of Chemistry","2021","45","13","6091","6099","10.1039/D1NJ00721A","","","1.54178","CuKα","","0.0255","0.0254","","","0.0603","0.0604","","","","","","1.171","","","","has coordinates","264920","2021-05-05","08:54:45",""
"7060458","8.4335","0.0017","14.985","0.003","22.574","0.005","90","","96.76","0.03","90","","2833","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N16 Ta2 -","- C24 H24 N16 Ta2 -","- C96 H96 N64 Ta8 -","4","1","","Petrov, Pavel A.; Laricheva, Yuliya A.; Sukhikh, Taisiya S.; Sokolov, Maxim N.","Tantalum(iv) pyrazolate: new wine in the old wineskin","New Journal of Chemistry","2021","45","16","7047","7051","10.1039/D1NJ00195G","","","0.71073","MoKα","","0.0276","0.0232","","","0.0525","0.0542","","","","","","1.074","","","","has coordinates","264917","2021-05-05","08:54:23",""
"7060459","8.1031","0.001","11.6725","0.0016","12.8496","0.0016","99.194","0.004","94.784","0.004","97.26","0.004","1183.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N3 Ni S7 -","- C16 H22 N3 Ni S7 -","- C32 H44 N6 Ni2 S14 -","2","1","","Chen, Xuan-Rong; Luo, Min; Zhang, Zhen-Min; Xu, Xiao-Yi; Jiang, Yi; Liu, Hang","Magnetism, dielectrics and ion conduction in two polymorphs of a heteroleptic bis(dithiolato)nickelate molecular solid","New Journal of Chemistry","2021","45","13","5971","5980","10.1039/D1NJ00491C","","","0.71073","MoKα","","0.0956","0.0446","","","0.0852","0.1","","","","","","1.012","","","","has coordinates","264921","2021-05-05","08:54:54",""
"7060460","17.878","0.002","17.576","0.002","7.5597","0.0008","90","","98.828","0.003","90","","2347.3","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H22 N3 Ni S7 -","- C16 H22 N3 Ni S7 -","- C64 H88 N12 Ni4 S28 -","4","1","","Chen, Xuan-Rong; Luo, Min; Zhang, Zhen-Min; Xu, Xiao-Yi; Jiang, Yi; Liu, Hang","Magnetism, dielectrics and ion conduction in two polymorphs of a heteroleptic bis(dithiolato)nickelate molecular solid","New Journal of Chemistry","2021","45","13","5971","5980","10.1039/D1NJ00491C","","","0.71073","MoKα","","0.0884","0.0543","","","0.1214","0.136","","","","","","1.044","","","","has coordinates","264921","2021-05-05","08:54:54",""
"7060461","36.681","0.002","21.1352","0.0009","19.0189","0.001","90","","90.535","0.002","90","","14744","1.3","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Dy2 N7 O20 -","- C48 H48 Dy2 N7 O20 -","- C384 H384 Dy16 N56 O160 -","8","1","","Lin, Qingfang; Xie, Wen; Zong, Zhihui; Liu, Zicheng; Sun, Yuqing; Liang, Lili","Lanthanide-based bis-(3,5-dicarboxy-phenyl)terephthalamide metal‒organic frameworks: slow relaxation of magnetization and detection of trace Fe2+ and Fe3+","New Journal of Chemistry","2021","45","16","7382","7389","10.1039/D1NJ00863C","","","0.71073","MoKα","","0.1342","0.0787","","","0.194","0.2428","","","","","","1.03","","","","has coordinates,has disorder","264916","2021-05-05","08:54:17",""
"7060462","36.6398","0.0014","21.2459","0.0009","19.1182","0.0009","90","","90.864","0.002","90","","14880.8","1.1","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 N7 O19 Sm2 -","- C48 H46 N7 O19 Sm2 -","- C384 H368 N56 O152 Sm16 -","8","1","","Lin, Qingfang; Xie, Wen; Zong, Zhihui; Liu, Zicheng; Sun, Yuqing; Liang, Lili","Lanthanide-based bis-(3,5-dicarboxy-phenyl)terephthalamide metal‒organic frameworks: slow relaxation of magnetization and detection of trace Fe2+ and Fe3+","New Journal of Chemistry","2021","45","16","7382","7389","10.1039/D1NJ00863C","","","0.71076","MoKα","","0.1139","0.0703","","","0.1806","0.2191","","","","","","1.026","","","","has coordinates,has disorder","264916","2021-05-05","08:54:17",""
"7060463","9.9045","0.0002","15.9949","0.0003","12.6185","0.0002","90","","96.154","0.002","90","","1987.52","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Co N8 -","- C22 H12 Co N8 -","- C88 H48 Co4 N32 -","4","1","","Kliuikov, Andrii; Bukrynov, Oleksandr; Čižmár, Erik; Váhovská, Lucia; Vitushkina, Svitlana; Samoľová, Erika; Potočňák, Ivan","Syntheses, structures and magnetic properties of two isostructural dicyanamide-bridged 2D polymers","New Journal of Chemistry","2021","45","16","7117","7128","10.1039/D1NJ00726B","","","0.71073","MoKα","","0.0269","0.0233","","","0.0582","0.0606","","","","","","1.028","","","","has coordinates","264918","2021-05-05","08:54:29",""
"7060464","9.9542","0.0001","15.8951","0.0001","12.5557","0.0001","90","","97.178","0.001","90","","1971.03","0.03","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 N8 Ni -","- C22 H12 N8 Ni -","- C88 H48 N32 Ni4 -","4","1","","Kliuikov, Andrii; Bukrynov, Oleksandr; Čižmár, Erik; Váhovská, Lucia; Vitushkina, Svitlana; Samoľová, Erika; Potočňák, Ivan","Syntheses, structures and magnetic properties of two isostructural dicyanamide-bridged 2D polymers","New Journal of Chemistry","2021","45","16","7117","7128","10.1039/D1NJ00726B","","","1.54184","CuKα","","0.0245","0.0236","","","0.062","0.0626","","","","","","1.052","","","","has coordinates","264918","2021-05-05","08:54:30",""
"7060465","12.446","0.004","13.401","0.005","15.377","0.005","83.756","0.005","75.623","0.004","88.17","0.005","2469.6","1.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78.8 H74.4 Dy6 N38.4 O24 -","- C78.8 H74.4 Dy6 N38.4 O24 -","- C78.8 H74.4 Dy6 N38.4 O24 -","1","0.5","","Li, Hai-Ye; Pang, Xu-Hong; Tao, Ye; Huang, Fu-Ping; Zou, Hua-Hong; Liang, Fu-Pei","Regulating the solution structural integrity and slow magnetic relaxation behavior of two Dy6 clusters with a pyridine‒triazole ligand","New Journal of Chemistry","2021","45","16","7096","7102","10.1039/D1NJ00140J","","","0.71073","MoKα","","0.0277","0.0239","","","0.0625","0.0654","","","","","","1.045","","","","has coordinates,has disorder","264914","2021-05-05","08:53:38",""
"7060466","12.4747","0.0003","13.3828","0.0003","15.3803","0.0004","83.784","0.002","75.381","0.002","88.137","0.002","2469.92","0.11","294.32","0.19","294.32","0.19","","","","","","","","5","P -1","-P 1","2","","","","- C78 H72 Dy6 N41 O22 -","- C78 H72 Dy6 N41 O22 -","- C78 H72 Dy6 N41 O22 -","1","0.5","","Li, Hai-Ye; Pang, Xu-Hong; Tao, Ye; Huang, Fu-Ping; Zou, Hua-Hong; Liang, Fu-Pei","Regulating the solution structural integrity and slow magnetic relaxation behavior of two Dy6 clusters with a pyridine‒triazole ligand","New Journal of Chemistry","2021","45","16","7096","7102","10.1039/D1NJ00140J","","x-ray","0.71073","MoKα","","0.058","0.0368","","","0.0865","0.0948","","","","","","1.039","","","","has coordinates,has disorder","264914","2021-05-05","08:53:38",""
"7060467","11.8929","0.0015","18.115","0.002","21.769","0.003","90","","105.045","0.002","90","","4529.2","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Dy6 N32 O19 -","- C76 H86 Dy6 N32 O19 -","- C152 H172 Dy12 N64 O38 -","2","0.5","","Li, Hai-Ye; Pang, Xu-Hong; Tao, Ye; Huang, Fu-Ping; Zou, Hua-Hong; Liang, Fu-Pei","Regulating the solution structural integrity and slow magnetic relaxation behavior of two Dy6 clusters with a pyridine‒triazole ligand","New Journal of Chemistry","2021","45","16","7096","7102","10.1039/D1NJ00140J","","","0.71073","MoKα","","0.0542","0.0354","","","0.0888","0.1031","","","","","","1.096","","","","has coordinates,has disorder","264914","2021-05-05","08:53:38",""
"7060468","7.9071","0.0002","28.296","0.0006","7.1173","0.0002","90","","115.383","0.004","90","","1438.69","0.08","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O4 -","- C16 H14 Cl N O4 -","- C64 H56 Cl4 N4 O16 -","4","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0382","0.0345","","","0.0898","0.094","","","","","","1.05","","","","has coordinates","264937","2021-05-05","08:59:30",""
"7060469","3.8236","0.0001","26.8722","0.0005","13.2409","0.0002","90","","93.319","0.002","90","","1358.2","0.05","120","0.1","120","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 Br N2 O5 -","- C14 H9 Br N2 O5 -","- C56 H36 Br4 N8 O20 -","4","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0821","0.0826","","","","","","1.05","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060470","5.9378","0.0004","7.3721","0.0007","15.3569","0.0012","90","","96.417","0.007","90","","668.02","0.09","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.1051","0.0855","","","0.2365","0.2602","","","","","","1.101","","","","has coordinates,has disorder","264937","2021-05-05","08:59:31",""
"7060471","7.5793","0.0015","11.453","0.002","27.652","0.006","90","","90","","90","","2400.4","0.8","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Br N O2 S -","- C12 H8 Br N O2 S -","- C96 H64 Br8 N8 O16 S8 -","8","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","0.71073","MoKα","","0.1158","0.0945","","","0.1668","0.1737","","","","","","1.266","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060472","4.2178","0.0002","16.5839","0.0006","10.27","0.0004","90","","93.821","0.004","90","","716.76","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Cl N O4 -","- C16 H14 Cl N O4 -","- C32 H28 Cl2 N2 O8 -","2","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0418","0.0391","","","0.1024","0.1061","","","","","","1.077","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060473","13.2417","0.0015","7.6505","0.0007","14.5189","0.0014","90","","111.612","0.012","90","","1367.4","0.3","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","0.71073","MoKα","","0.1437","0.0802","","","0.1908","0.2551","","","","","","1.03","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060474","7.9031","0.0016","7.321","0.0015","22.042","0.004","90","","90.25","0.03","90","","1275.3","0.4","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O2 S2 -","- C13 H11 N O2 S2 -","- C52 H44 N4 O8 S8 -","4","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","0.71073","MoKα","","0.0723","0.0497","","","0.1003","0.1117","","","","","","1.126","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060475","7.1272","0.0002","12.8757","0.0004","7.3763","0.0003","90","","104.703","0.004","90","","654.74","0.04","120","0.1","120","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H12 F N O2 -","- C16 H12 F N O2 -","- C32 H24 F2 N2 O4 -","2","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0351","0.0334","","","0.0933","0.0962","","","","","","1.063","","","","has coordinates,has disorder","264937","2021-05-05","08:59:31",""
"7060476","10.1458","0.0005","15.8649","0.0006","14.8141","0.0007","90","","102.26","0.005","90","","2330.13","0.19","122","2","122","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br N O2 S -","- C12 H8 Br N O2 S -","- C96 H64 Br8 N8 O16 S8 -","8","2","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","0.71073","MoKα","","0.0564","0.0375","","","0.0724","0.0823","","","","","","1.024","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060477","11.5166","0.0002","12.8669","0.0002","19.7897","0.0003","90","","90.4671","0.0016","90","","2932.4","0.08","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 N2 O8 -","- C32 H28 Cl2 N2 O8 -","- C128 H112 Cl8 N8 O32 -","4","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0429","0.0356","","","0.0901","0.0958","","","","","","1.021","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060478","14.672","0.0003","10.3954","0.0002","18.9716","0.0003","90","","93.264","0.002","90","","2888.88","0.09","121","1","121","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cl2 N2 O8 -","- C32 H28 Cl2 N2 O8 -","- C128 H112 Cl8 N8 O32 -","4","0.5","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0377","0.0355","","","0.0957","0.0981","","","","","","1.052","","","","has coordinates,has disorder","264937","2021-05-05","08:59:31",""
"7060479","11.2659","0.0002","7.5074","0.0001","27.4441","0.0004","90","","92.743","0.002","90","","2318.5","0.06","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O2 S -","- C13 H11 N O2 S -","- C104 H88 N8 O16 S8 -","8","2","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0407","0.0338","","","0.0879","0.0929","","","","","","1.045","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060480","11.672","0.0002","11.8172","0.0002","14.791","0.0002","109.528","0.001","103.389","0.001","90.949","0.001","1860.67","0.05","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C90 H78 N6 O18 -","6","3","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0417","0.039","","","0.1076","0.1103","","","","","","1.059","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060481","8.7795","0.001","10.6638","0.0011","11.6995","0.0013","82.207","0.004","75.761","0.004","79.045","0.004","1037.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl2 O2 Pt S4 -","- C18 H16 Cl2 O2 Pt S4 -","- C36 H32 Cl4 O4 Pt2 S8 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","0.71073","MoKα","","0.1058","0.0722","","","0.1508","0.1668","","","","","","1.162","","","","has coordinates","264930","2021-05-05","08:57:02",""
"7060482","11.1318","0.0006","17.0266","0.0007","12.4532","0.0007","90","","110.318","0.007","90","","2213.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 Pt S4 -","- C18 H18 Cl2 N2 Pt S4 -","- C72 H72 Cl8 N8 Pt4 S16 -","4","1","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","0.71073","MoKα","","0.0867","0.0554","","","0.12","0.1327","","","","","","0.958","","","","has coordinates","264930","2021-05-05","08:57:02",""
"7060483","11.5072","0.0005","9.7623","0.0003","16.4968","0.0006","90","","109.328","0.004","90","","1748.75","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 N0 O2 Pt S2 -","- C14 H16 Cl2 O2 Pt S2 -","- C56 H64 Cl8 O8 Pt4 S8 -","4","1","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","0.71073","MoKα","","0.0506","0.0453","","","0.108","0.1105","","","","","","1.125","","","","has coordinates,has disorder","264930","2021-05-05","08:57:02",""
"7060484","6.5766","0.001","14.83","0.002","17.779","0.003","103","0.008","94.315","0.007","90.165","0.007","1684.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 N O5 S2 W -","- C14 H9 N O5 S2 W -","- C56 H36 N4 O20 S8 W4 -","4","2","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","0.71073","MoKα","","0.0848","0.0537","","","0.1134","0.1241","","","","","","1.039","","","","has coordinates","264930","2021-05-05","08:57:02",""
"7060485","27.501","0.002","5.8805","0.0004","11.7976","0.0008","90","","97.085","0.004","90","","1893.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O S2 -","- C9 H9 N O S2 -","- C72 H72 N8 O8 S16 -","8","2","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","1.54178","CuKα","","0.0616","0.0408","","","0.1022","0.1117","","","","","","1.043","","","","has coordinates","264930","2021-05-05","08:57:02",""
"7060486","6.928","0.001","13.774","0.002","15.184","0.003","100.047","0.005","96.161","0.005","90.884","0.005","1417.6","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C11 H13 Cl Li0 N O Pt0.5 S2 -","- C11 H13 Cl N O Pt0.5 S2 -","- C44 H52 Cl4 N4 O4 Pt2 S8 -","4","2","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","0.71073","MoKα","","0.0195","0.0181","","","0.0465","0.0469","","","","","","1.055","","","","has coordinates","264930","2021-05-05","08:57:02",""
"7060487","16.1677","0.0004","7.6561","0.0002","17.3557","0.0004","90","","109.196","0.003","90","","2028.87","0.09","140","0.1","140","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Te -","- C27 H20 Te -","- C108 H80 Te4 -","4","1","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","0.71073","MoKα","","0.0223","0.0202","","","0.052","0.053","","","","","","1.0435","","","","has coordinates","264915","2021-05-05","08:54:01",""
"7060488","15.83567","0.00008","15.85744","0.00008","7.877","0.00003","90","","90","","90","","1978.02","0.016","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 N Se -","- C27 H17 N Se -","- C108 H68 N4 Se4 -","4","1","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","1.54184","CuKα","","0.0315","0.0314","","","0.086","0.0861","","","","","","1.05","","","","has coordinates","264915","2021-05-05","08:54:01",""
"7060489","9.2854","0.0003","18.7578","0.0006","14.0866","0.0006","90","","103.351","0.004","90","","2387.21","0.15","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 Se -","- C34 H22 Se -","- C136 H88 Se4 -","4","1","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","0.71073","MoKα","","0.0582","0.0413","","","0.1044","0.1105","","","","","","1.085","","","","has coordinates,has disorder","264915","2021-05-05","08:54:01",""
"7060490","14.4559","0.0001","15.346","0.0001","17.1593","0.0001","92.199","0.001","104.095","0.001","101.54","0.001","3602.16","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C175 H148 Cl2 N2 Se4 Si2 -","- C175 H148 Cl2 N2 Se4 Si2 -","- C175 H148 Cl2 N2 Se4 Si2 -","1","0.5","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","1.54184","CuKα","","0.0572","0.0535","","","0.1732","0.1791","","","","","","0.999","","","","has coordinates,has disorder","264915","2021-05-05","08:54:01",""
"7060491","9.3198","0.0001","11.5015","0.0002","11.9566","0.0002","73.366","0.001","82.145","0.001","80.121","0.001","1204.59","0.03","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C36 H22 Se -","- C36 H22 Se -","- C72 H44 Se2 -","2","1","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","1.54184","CuKα","","0.0338","0.0335","","","0.0946","0.0949","","","","","","1.0395","","","","has coordinates","264915","2021-05-05","08:54:01",""
"7060492","15.79929","0.0001","7.77564","0.00004","17.03739","0.00011","90","","108.329","0.0007","90","","1986.85","0.02","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Se -","- C27 H20 Se -","- C108 H80 Se4 -","4","1","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","1.54184","CuKα","","0.0284","0.0278","","","0.0752","0.0756","","","","","","1.037","","","","has coordinates","264915","2021-05-05","08:54:01",""
"7060493","19.9123","0.0018","20.962","0.0018","19.6197","0.0017","90","","90","","90","","8189.3","1.2","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C83 H75 Ag3 F6 O6 P6 S2 -","- C83 H75 Ag3 F6 O6 P6 S2 -","- C332 H300 Ag12 F24 O24 P24 S8 -","4","0.5","","Han, Chu-Xia; Shao, Zi-Mo; Li, Li; Zhou, Kun; Xue, Chun-Hui; Chen, Bao-Kuan; Ji, Jiu-Yu; Bi, Yan-Feng","Trinuclear cationic silver nanoclusters based-on bis-(phosphine) ligands and stabilized by CF3SO3− anions","New Journal of Chemistry","2021","45","17","7555","7563","10.1039/D1NJ00873K","","","0.71073","MoKα","","0.0843","0.054","","","0.1225","0.1383","","","","","","1.045","","","","has coordinates,has disorder","266122","2021-06-05","19:18:33",""
"7060494","13.067","0.0006","22.5859","0.0011","14.0988","0.0006","90","","114.929","0.001","90","","3773.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C78 H72 Ag3 F3 O8 P6 S -","- C78 H70 Ag3 F3 O8 P6 S -","- C156 H140 Ag6 F6 O16 P12 S2 -","2","0.5","","Han, Chu-Xia; Shao, Zi-Mo; Li, Li; Zhou, Kun; Xue, Chun-Hui; Chen, Bao-Kuan; Ji, Jiu-Yu; Bi, Yan-Feng","Trinuclear cationic silver nanoclusters based-on bis-(phosphine) ligands and stabilized by CF3SO3− anions","New Journal of Chemistry","2021","45","17","7555","7563","10.1039/D1NJ00873K","","","0.71073","MoKα","","0.0461","0.0366","","","0.0806","0.0882","","","","","","1.094","","","","has coordinates,has disorder","266122","2021-06-05","19:18:33",""
"7060495","19.7589","0.0014","23.184","0.0016","18.9443","0.0015","90","","94.853","0.002","90","","8647.1","1.1","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C85 H87 Ag3 Cl2 F3 N3 O6 P6 S -","- C85 H87 Ag3 Cl2 F3 N3 O6 P6 S -","- C340 H348 Ag12 Cl8 F12 N12 O24 P24 S4 -","4","1","","Han, Chu-Xia; Shao, Zi-Mo; Li, Li; Zhou, Kun; Xue, Chun-Hui; Chen, Bao-Kuan; Ji, Jiu-Yu; Bi, Yan-Feng","Trinuclear cationic silver nanoclusters based-on bis-(phosphine) ligands and stabilized by CF3SO3− anions","New Journal of Chemistry","2021","45","17","7555","7563","10.1039/D1NJ00873K","","","0.71073","MoKα","","0.0563","0.0388","","","0.0931","0.1026","","","","","","1.008","","","","has coordinates","266122","2021-06-05","19:18:33",""
"7060496","19.215","0.0005","7.7578","0.0003","6.2397","0.0002","90","","90","","90","","930.13","0.05","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- F7 H10 N3 O3 Ru Si -","- F7 H10 N3 O3 Ru Si -","- F28 H40 N12 O12 Ru4 Si4 -","4","0.5","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors","New Journal of Chemistry","2021","45","18","8192","8202","10.1039/D1NJ01038G","","","0.71073","MoKα","","0.0284","0.0272","","","0.0542","0.0546","","","","","","1.262","","","","has coordinates","266148","2021-06-05","19:22:56",""
"7060497","18.3073","0.0008","8.3396","0.0003","10.2007","0.0004","90","","104.729","0.002","90","","1506.22","0.1","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H13 Cl2 F N4 O10 Ru -","- C5 H13 Cl2 F N4 O10 Ru -","- C20 H52 Cl8 F4 N16 O40 Ru4 -","4","1","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors","New Journal of Chemistry","2021","45","18","8192","8202","10.1039/D1NJ01038G","","","0.71073","MoKα","","0.0489","0.0404","","","0.0785","0.0821","","","","","","1.123","","","","has coordinates,has disorder","266148","2021-06-05","19:22:56",""
"7060498","6.7669","0.0003","9.2867","0.0004","11.445","0.0006","103.78","0.002","101.152","0.002","103.764","0.002","654.19","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H26 F8 N10 O10 Ru2 Si -","- C10 H26 F8 N10 O10 Ru2 Si -","- C10 H26 F8 N10 O10 Ru2 Si -","1","0.5","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors","New Journal of Chemistry","2021","45","18","8192","8202","10.1039/D1NJ01038G","","","0.71073","MoKα","","0.0285","0.0238","","","0.0442","0.0458","","","","","","1.056","","","","has coordinates","266148","2021-06-05","19:22:56",""
"7060499","18.6327","0.0008","13.8821","0.0005","10.4352","0.0005","90","","96.73","0.004","90","","2680.6","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6.67 H16.67 Cl2 F1.33 N5.33 O10.67 Ru1.33 -","- C6.66667 H16.6667 Cl2 F1.33333 N5.33333 O10.6667 Ru1.33333 -","- C40 H100 Cl12 F8 N32 O64 Ru8 -","6","1.5","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors","New Journal of Chemistry","2021","45","18","8192","8202","10.1039/D1NJ01038G","","x-ray","0.71073","MoKα","","0.0701","0.0395","","","0.0758","0.0924","","","","","","1.071","","","","has coordinates","266148","2021-06-05","19:22:56",""
"7060500","9.9515","0.0008","13.1974","0.0006","14.5739","0.0009","107.7","0.005","107.784","0.007","90.635","0.005","1724.9","0.2","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 N6 Ni O8 -","- C35 H36 N6 Ni O8 -","- C70 H72 N12 Ni2 O16 -","2","1","","Kumar, Manish; Lal, Neetika; Luthra, Pratibha Mehta; Masram, Dhanraj T.","Exploring the binding and cleavage activities of nickelII complexes towards DNA and proteins","New Journal of Chemistry","2021","45","15","6693","6708","10.1039/D0NJ06210C","","","0.71073","MoKα","","0.0879","0.0595","","","0.1483","0.1696","","","","","","1.034","","","","has coordinates","264936","2021-05-05","08:58:29",""
"7060501","8.097","0.0015","9.837","0.0014","15.489","0.002","98.035","0.011","95.492","0.014","93.658","0.014","1212.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N4 Ni O4 -","- C29 H26 N4 Ni O4 -","- C58 H52 N8 Ni2 O8 -","2","1","","Kumar, Manish; Lal, Neetika; Luthra, Pratibha Mehta; Masram, Dhanraj T.","Exploring the binding and cleavage activities of nickelII complexes towards DNA and proteins","New Journal of Chemistry","2021","45","15","6693","6708","10.1039/D0NJ06210C","","","0.71073","MoKα","","0.1384","0.0946","","","0.2327","0.2876","","","","","","1.017","","","","has coordinates","264936","2021-05-05","08:58:30",""
"7060502","14.3041","0.0018","25.146","0.002","11.4595","0.0015","90","","111.123","0.014","90","","3844.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 N6 Ni O11 -","- C37 H38 N6 Ni O11 -","- C148 H152 N24 Ni4 O44 -","4","0.5","","Kumar, Manish; Lal, Neetika; Luthra, Pratibha Mehta; Masram, Dhanraj T.","Exploring the binding and cleavage activities of nickelII complexes towards DNA and proteins","New Journal of Chemistry","2021","45","15","6693","6708","10.1039/D0NJ06210C","","","0.71073","MoKα","","0.1048","0.0769","","","0.1912","0.2285","","","","","","1.04","","","","has coordinates","264936","2021-05-05","08:58:30",""
"7060503","28.555","0.005","4.9529","0.0008","21.68","0.004","90","","118.805","0.005","90","","2686.8","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 N11 O7 -","- C6 H9 N11 O7 -","- C48 H72 N88 O56 -","8","1","","Gu, Hao; Cheng, Guangbin; Yang, Hongwei","Tricyclic nitrogen-rich explosives with a planar backbone: bis(1,2,4-triazolyl)-1,2,3-triazoles as potential stable green gas generants","New Journal of Chemistry","2021","45","17","7758","7765","10.1039/D1NJ00076D","","","0.71073","MoKα","","0.1154","0.0666","","","0.147","0.1683","","","","","","1.052","","","","has coordinates","266125","2021-06-05","19:18:49",""
"7060504","10.2923","0.0018","10.3806","0.0018","17.587","0.003","81.484","0.003","75.196","0.003","77.313","0.003","1763.8","0.5","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","Compound 1","","- C24 H44 Cd3 Mo12 N12 O58 P2 -","- C24 H44 Cd3 Mo12 N12 O58 P2 -","- C24 H44 Cd3 Mo12 N12 O58 P2 -","1","0.5","","Yu, Haiyan; Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","{PMo6O24N4} subunit functionalized by organonitrogen through Mo‒N bonds: hydrothermal synthesis, structure, photocatalytic, and fluorescence sensing properties","New Journal of Chemistry","2021","45","18","7942","7945","10.1039/D1NJ00887K","","","0.71073","MoKα","","0.0793","0.0543","","","0.143","0.1642","","","","","","1.041","","","","has coordinates","266147","2021-06-05","19:22:48",""
"7060505","8.2837","0.0001","16.1677","0.0003","16.6633","0.0003","90","","93.001","0.001","90","","2228.63","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 B2 N2 S3 -","- C50 H48 B2 N2 S3 -","- C100 H96 B4 N4 S6 -","2","0.5","","Zhou, Senhao; Zhang, Shiqian; Li, Jinsong; Liu, Zhiqiang; Yu, Xiaoqiang","Syntheses, structures, and one- and two-photon excited fluorescence of dimesitylboryl-ended quadrupolar hybrid oligothiophenes","New Journal of Chemistry","2021","45","33","15035","15042","10.1039/D1NJ00694K","","","0.71073","MoKα","","0.0793","0.057","","","0.1579","0.1707","","","","","","1.02","","","","has coordinates","268875","2021-09-06","12:05:55",""
"7060506","17.1329","0.0004","8.2168","0.0002","19.5322","0.0004","90","","113.342","0.0013","90","","2524.65","0.1","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H58 B2 S4 -","- C57 H58 B2 S4 -","- C114 H116 B4 S8 -","2","0.5","","Zhou, Senhao; Zhang, Shiqian; Li, Jinsong; Liu, Zhiqiang; Yu, Xiaoqiang","Syntheses, structures, and one- and two-photon excited fluorescence of dimesitylboryl-ended quadrupolar hybrid oligothiophenes","New Journal of Chemistry","2021","45","33","15035","15042","10.1039/D1NJ00694K","","","0.71073","MoKα","","0.0867","0.0482","","","0.1272","0.1511","","","","","","1.027","","","","has coordinates,has disorder","268875","2021-09-06","12:05:56",""
"7060507","7.9979","0.0001","11.7834","0.0002","13.5026","0.0002","96.215","0.001","93.895","0.001","100.22","0.001","1240.02","0.03","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 B S2 -","- C30 H29 B S2 -","- C60 H58 B2 S4 -","2","1","","Zhou, Senhao; Zhang, Shiqian; Li, Jinsong; Liu, Zhiqiang; Yu, Xiaoqiang","Syntheses, structures, and one- and two-photon excited fluorescence of dimesitylboryl-ended quadrupolar hybrid oligothiophenes","New Journal of Chemistry","2021","45","33","15035","15042","10.1039/D1NJ00694K","","","0.71073","MoKα","","0.0375","0.0347","","","0.0949","0.0977","","","","","","1.019","","","","has coordinates,has disorder","268875","2021-09-06","12:05:56",""
"7060508","42.4881","0.0014","15.1359","0.0005","8.0769","0.0002","90","","92.305","0.003","90","","5190","0.3","297.15","","297.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 B2 S4 -","- C54 H52 B2 S4 -","- C216 H208 B8 S16 -","4","0.5","","Zhou, Senhao; Zhang, Shiqian; Li, Jinsong; Liu, Zhiqiang; Yu, Xiaoqiang","Syntheses, structures, and one- and two-photon excited fluorescence of dimesitylboryl-ended quadrupolar hybrid oligothiophenes","New Journal of Chemistry","2021","45","33","15035","15042","10.1039/D1NJ00694K","","","1.54184","CuKα","","0.0947","0.0839","","","0.1935","0.1977","","","","","","1.175","","","","has coordinates,has disorder","268875","2021-09-06","12:05:56",""
"7060509","21.2514","0.0003","16.3136","0.0003","36.1817","0.0006","90","","90","","90","","12543.7","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C78 H70 N2 O2 -","- C78 H70 N2 O2 -","- C624 H560 N16 O16 -","8","1","","Zhang, Guang-Wei; Xiang, Jia-Yin; Zhong, Tao-Tao; Zhi, Xin-Ru; Gao, Chuang; Huang, Wei; Yuan, Shuai; Xie, Ling-Hai; Huang, Wei","Iodide ion receptors: shape-persistent macrocycles of syn/anti configurations","New Journal of Chemistry","2021","45","15","6796","6802","10.1039/D1NJ00247C","","","1.54178","CuKα","","0.1597","0.1405","","","0.257","0.2653","","","","","","1.063","","","","has coordinates,has disorder","264934","2021-05-05","08:57:48",""
"7060510","7.3527","0.0008","12.8535","0.0014","13.2223","0.0015","75.187","0.002","79.635","0.002","86.841","0.002","1188.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Cl Cu N4 O5 -","- C25 H19 Cl Cu N4 O5 -","- C50 H38 Cl2 Cu2 N8 O10 -","2","1","","Sangeetha, Somasundaram; Ajaykamal, Tamilarasan; Murali, Mariappan","Copper(ii) complexes of 2-methyl-8-hydroxyquinoline and tri/diimine co-ligand: DFT calculations, DNA and BSA binding, DNA cleavage, cytotoxicity and induction of apoptosis","New Journal of Chemistry","2021","45","17","7578","7593","10.1039/D1NJ00392E","","","0.71069","MoKα","","0.0481","0.0341","","","0.089","0.0939","","","","","","1.006","","","","has coordinates","266123","2021-06-05","19:18:38",""
"7060511","8.8312","0.0018","16.467","0.003","24.385","0.005","89.63","0.03","87.94","0.03","89.72","0.03","3543.7","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H61 N8 O4 -","- C96 H61 N8 O4 -","- C192 H122 N16 O8 -","2","1","","Tehrani, Tahereh; Meghdadi, Soraia; Salarvand, Zohreh; Tavakoli, Behnam; Eskandari, Kiamars; Amirnasr, Mehdi","An anthracene‒quinoline based dual-mode fluorometric‒colorimetric sensor for the detection of Fe3+ and its application in live cell imaging","New Journal of Chemistry","2021","45","18","8109","8117","10.1039/D1NJ00178G","","","0.71073","MoKα","","0.4154","0.0565","","","0.0691","0.1089","","","","","","0.504","","","","has coordinates","266144","2021-06-05","19:22:10",""
"7060512","10.8731","0.0013","12.7566","0.0016","14.5064","0.0019","66.069","0.012","86.317","0.01","85.015","0.01","1831.2","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H28 F6 N2 O2 -","- C45 H28 F6 N2 O2 -","- C90 H56 F12 N4 O4 -","2","1","","Moshkina, Tatyana N.; Nosova, Emiliya V.; Lipunova, Galina N.; Zhilina, Ekaterina F.; Slepukhin, Pavel A.; Nikonov, Igor L.; Charushin, Valery N.","The Rh(iii)-catalysed C‒H/N‒H annulation of 2-thienyl- and 2-phenyl-quinazolin-4(3H)-ones with diphenylacetylene","New Journal of Chemistry","2021","45","19","8456","8466","10.1039/D1NJ00935D","","","0.71073","MoKα","","0.1986","0.0718","","","0.1256","0.1826","","","","","","1.001","","","","has coordinates","266128","2021-06-05","19:19:10",""
"7060513","8.9557","0.0007","9.9486","0.0008","22.5422","0.0017","98.812","0.006","91.216","0.006","97.59","0.006","1965.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N2 O S -","- C26 H16 N2 O S -","- C104 H64 N8 O4 S4 -","4","2","","Moshkina, Tatyana N.; Nosova, Emiliya V.; Lipunova, Galina N.; Zhilina, Ekaterina F.; Slepukhin, Pavel A.; Nikonov, Igor L.; Charushin, Valery N.","The Rh(iii)-catalysed C‒H/N‒H annulation of 2-thienyl- and 2-phenyl-quinazolin-4(3H)-ones with diphenylacetylene","New Journal of Chemistry","2021","45","19","8456","8466","10.1039/D1NJ00935D","","","0.71073","MoKα","","0.1891","0.074","","","0.1492","0.2254","","","","","","1.001","","","","has coordinates","266128","2021-06-05","19:19:10",""
"7060514","12.3877","0.0011","13.2907","0.0012","14.7438","0.0013","105.626","0.008","107.407","0.008","103.726","0.008","2093","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 Br N2 O S -","- C26 H15 Br N2 O S -","- C104 H60 Br4 N8 O4 S4 -","4","2","","Moshkina, Tatyana N.; Nosova, Emiliya V.; Lipunova, Galina N.; Zhilina, Ekaterina F.; Slepukhin, Pavel A.; Nikonov, Igor L.; Charushin, Valery N.","The Rh(iii)-catalysed C‒H/N‒H annulation of 2-thienyl- and 2-phenyl-quinazolin-4(3H)-ones with diphenylacetylene","New Journal of Chemistry","2021","45","19","8456","8466","10.1039/D1NJ00935D","","","0.71073","MoKα","","0.1786","0.0624","","","0.1255","0.1862","","","","","","0.982","","","","has coordinates","266128","2021-06-05","19:19:10",""
"7060515","11.2427","0.0005","11.4819","0.0005","13.5468","0.0006","88.6303","0.0015","73.6805","0.0014","69.6071","0.0014","1567.75","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N3 O4 S2 -","- C29 H27 N3 O4 S2 -","- C58 H54 N6 O8 S4 -","2","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.062","0.044","","","0.1078","0.116","","","","","","1.052","","","","has coordinates","266146","2021-06-05","19:22:42",""
"7060516","9.3658","0.0008","10.3049","0.0009","17.1465","0.0014","90","","95.426","0.003","90","","1647.5","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H36 N4 O4 S -","- C38 H36 N4 O4 S -","- C76 H72 N8 O8 S2 -","2","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.0998","0.0497","","","0.096","0.1106","","","","","","1.019","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060517","18.215","0.004","11.451","0.002","16.453","0.004","90","","114.201","0.007","90","","3130.2","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl3 N3 O3 S -","- C32 H30 Cl3 N3 O3 S -","- C128 H120 Cl12 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.2292","0.0842","","","0.1953","0.233","","","","","","0.981","","","","has coordinates,has disorder","266146","2021-06-05","19:22:43",""
"7060518","10.1091","0.0005","23.119","0.0011","21.9291","0.001","90","","100.109","0.002","90","","5045.5","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N3 O4 S -","- C29 H23 N3 O4 S -","- C232 H184 N24 O32 S8 -","8","2","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1657","0.0677","","","0.1207","0.1531","","","","","","1.027","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060519","19.0749","0.0018","11.6066","0.0011","16.6701","0.0016","90","","110.707","0.003","90","","3452.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl N3 O3 S -","- C34 H26 Cl N3 O3 S -","- C136 H104 Cl4 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1693","0.0777","","","0.2001","0.2471","","","","","","1.036","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060520","10.4585","0.0009","12.007","0.001","12.6704","0.0011","88.734","0.003","69.342","0.003","71.811","0.003","1407.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Cl N3 O3 S -","- C34 H24 Cl N3 O3 S -","- C68 H48 Cl2 N6 O6 S2 -","2","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.0813","0.048","","","0.1135","0.1289","","","","","","1.053","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060521","14.1938","0.0009","12.7868","0.0008","15.7009","0.001","90","","93.515","0.002","90","","2844.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 N3 O3 S -","- C34 H27 N3 O3 S -","- C136 H108 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1021","0.0492","","","0.0974","0.1153","","","","","","1.005","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060522","17.9592","0.0012","9.9378","0.0006","19.4608","0.0014","90","","90.563","0.002","90","","3473.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl N3 O4 S -","- C29 H22 Cl N3 O4 S -","- C116 H88 Cl4 N12 O16 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1498","0.0862","","","0.2566","0.2964","","","","","","1.043","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060523","12.9608","0.001","13.9494","0.0012","17.7301","0.0013","90","","93.761","0.003","90","","3198.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Cl N3 O3 S -","- C31 H28 Cl N3 O3 S -","- C124 H112 Cl4 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1249","0.0613","","","0.1444","0.1758","","","","","","1.009","","","","has coordinates,has disorder","266146","2021-06-05","19:22:43",""
"7060524","9.7808","0.0011","17.785","0.002","20.68","0.002","113.688","0.003","98.967","0.003","96.146","0.004","3196.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cl N3 O4 S -","- C30 H24 Cl N3 O4 S -","- C120 H96 Cl4 N12 O16 S4 -","4","2","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1246","0.07","","","0.2008","0.2209","","","","","","1.09","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060525","15.8114","0.0008","10.6093","0.0004","17.0189","0.0008","90","","94.8582","0.0016","90","","2844.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 N3 O3 S -","- C34 H27 N3 O3 S -","- C136 H108 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1264","0.0526","","","0.1023","0.1271","","","","","","1.011","","","","has coordinates,has disorder","266146","2021-06-05","19:22:43",""
"7060526","14.3167","0.001","13.2208","0.0009","16.1888","0.0012","90","","96.612","0.002","90","","3043.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 N3 O3 S -","- C35 H29 N3 O3 S -","- C140 H116 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1277","0.0562","","","0.1208","0.148","","","","","","1.015","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060527","14.0329","0.0015","11.9896","0.0012","15.9331","0.0015","90","","106.258","0.003","90","","2573.5","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 F N3 O4 S -","- C29 H26 F N3 O4 S -","- C116 H104 F4 N12 O16 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.0919","0.0482","","","0.0971","0.1137","","","","","","1.019","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060528","11.69","0.003","16.755","0.005","15.859","0.005","90","","96.458","0.01","90","","3086.5","1.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl2 F N3 O3 S -","- C35 H26 Cl2 F N3 O3 S -","- C140 H104 Cl8 F4 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.2346","0.088","","","0.1763","0.2354","","","","","","1.007","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060529","4.7279","0.0003","14.6599","0.001","19.2246","0.0013","102.236","0.0008","95.5377","0.0008","92.5611","0.0009","1293.21","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","ethyl (2,3-diiodo-5-methoxyphenyl)carbamate","","- C10 H11 I2 N O3 -","- C10 H11 I2 N O3 -","- C40 H44 I8 N4 O12 -","4","2","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Al-Zoubi, Mazhar S.; McDonald, Robert; Zarour, Ahmad; Yassin, Aksam; Al-Ansari, Abdulla","Copper(i)-catalyzed regioselective Ullmann-type coupling of primary carbamates and 5-substituted-1,2,3-triiodobenzenes: facile synthesis of 2,3-diiodinated N-aryl carbamates","New Journal of Chemistry","2021","45","19","8432","8439","10.1039/D1NJ01332G","","","0.71073","MoKα","","0.0334","0.0272","","","0.063","0.0665","","","","","","1.06","","","","has coordinates","266127","2021-06-05","19:19:04",""
"7060530","12.23","0.003","13.783","0.004","7.0214","0.0018","90","","99.948","0.003","90","","1165.8","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl (2,3-diiodophenyl)carbamate","","- C9 H9 I2 N O2 -","- C9 H9 I2 N O2 -","- C36 H36 I8 N4 O8 -","4","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Al-Zoubi, Mazhar S.; McDonald, Robert; Zarour, Ahmad; Yassin, Aksam; Al-Ansari, Abdulla","Copper(i)-catalyzed regioselective Ullmann-type coupling of primary carbamates and 5-substituted-1,2,3-triiodobenzenes: facile synthesis of 2,3-diiodinated N-aryl carbamates","New Journal of Chemistry","2021","45","19","8432","8439","10.1039/D1NJ01332G","","","0.71073","MoKα","","0.0442","0.0385","","","0.1045","0.1126","","","","","","1.12","","","","has coordinates","266127","2021-06-05","19:19:04",""
"7060531","9.5371","0.0002","31.4251","0.0007","13.4381","0.0004","90","","110.781","0.0012","90","","3765.44","0.16","220","","220","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 O4 S2 -","- C42 H50 O4 S2 -","- C168 H200 O16 S8 -","4","1","","Kortus, D.; Eigner, V.; Lhoták, P.","Regio- and stereoselectivity of spirodienone formation in 2,14-dithiacalix[4]arene","New Journal of Chemistry","2021","45","19","8563","8571","10.1039/D1NJ01257F","","","1.54178","CuKα","","0.0797","0.0709","","0.186","0.1795","0.186","","","","","","1.0354","","","","has coordinates","266136","2021-06-05","19:20:12",""
"7060532","14.194","0.0005","12.1754","0.0004","10.6117","0.0004","90","","92.5237","0.0015","90","","1832.11","0.11","180","","180","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 O4 S2 -","- C42 H48 O4 S2 -","- C84 H96 O8 S4 -","2","0.5","","Kortus, D.; Eigner, V.; Lhoták, P.","Regio- and stereoselectivity of spirodienone formation in 2,14-dithiacalix[4]arene","New Journal of Chemistry","2021","45","19","8563","8571","10.1039/D1NJ01257F","","","1.54178","CuKα","","0.0448","0.0386","","0.1077","0.1041","0.1077","","","","","","0.9929","","","","has coordinates","266136","2021-06-05","19:20:12",""
"7060533","16.2615","0.0004","25.821","0.0006","19.9165","0.0004","90","","110.39","0.0009","90","","7838.7","0.3","180","","180","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C85 H98 Cl2 O8 S4 -","- C85 H98.0008 Cl2.0008 O8 S4 -","- C340 H392.003 Cl8.0032 O32 S16 -","4","0.5","","Kortus, D.; Eigner, V.; Lhoták, P.","Regio- and stereoselectivity of spirodienone formation in 2,14-dithiacalix[4]arene","New Journal of Chemistry","2021","45","19","8563","8571","10.1039/D1NJ01257F","","","1.5418","CuKα","","0.0486","0.0446","","0.124","0.1191","0.124","","","","","","0.9527","","","","has coordinates,has disorder","266136","2021-06-05","19:20:12",""
"7060534","12.5766","0.0004","13.5696","0.0004","13.9792","0.0004","81.791","0.0014","89.8885","0.0013","67.488","0.0012","2177.68","0.12","180","","180","","","","101","","","","","6","P -1","-P 1","2","","","","- C45 H54 Cl3 N O4 S2 -","- C45 H54 Cl3 N O4 S2 -","- C90 H108 Cl6 N2 O8 S4 -","2","1","","Kortus, D.; Eigner, V.; Lhoták, P.","Regio- and stereoselectivity of spirodienone formation in 2,14-dithiacalix[4]arene","New Journal of Chemistry","2021","45","19","8563","8571","10.1039/D1NJ01257F","","","1.5418","CuKα","","0.061","0.0573","","0.1683","0.1635","0.1683","","","","","","0.9828","","","","has coordinates,has disorder","266136","2021-06-05","19:20:12",""
"7060535","15.2741","0.0004","10.5413","0.0003","11.1715","0.0003","90","","92.323","0.002","90","","1797.23","0.08","95","","95","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 O4 S2 -","- C42 H48 O4 S2 -","- C84 H96 O8 S4 -","2","0.5","","Kortus, D.; Eigner, V.; Lhoták, P.","Regio- and stereoselectivity of spirodienone formation in 2,14-dithiacalix[4]arene","New Journal of Chemistry","2021","45","19","8563","8571","10.1039/D1NJ01257F","","","1.54184","CuKα","","0.0928","0.0925","","0.2797","0.2796","0.2797","","","","","","1.032","","","","has coordinates","266136","2021-06-05","19:20:12",""
"7060536","7.2429","0.0017","16.825","0.004","10.555","0.003","90","","90","","90","","1286.3","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H3 La O11 S -","- C8 H3 La O11 S -","- C32 H12 La4 O44 S4 -","4","1","","Kanti Das, Sabuj; Ghosh, Anirban; Bhattacharjee, Sudip; Chowdhury, Avik; Mitra, Partha; Bhaumik, Asim","A new 2D lanthanum based microporous MOF for efficient synthesis of cyclic carbonates through CO2 fixation","New Journal of Chemistry","2021","45","20","9189","9196","10.1039/D1NJ00601K","","","0.71073","MoKα","","0.0237","0.0217","","","0.0545","0.0556","","","","","","1.093","","","","has coordinates","266142","2021-06-05","19:21:50",""
"7060537","16.884","0.009","11.505","0.006","19.587","0.01","90","","94.634","0.009","90","","3792","3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 N7 O6 P3 -","- C42 H30 N7 O6 P3 -","- C168 H120 N28 O24 P12 -","4","1","","Mutlu Balcı, Ceylan; Tümay, Süreyya Oğuz; Beşli, Serap","ESIPT on/off switching and crystallization-enhanced emission properties of new design phenol-pyrazole modified cyclotriphosphazenes","New Journal of Chemistry","2021","45","19","8492","8505","10.1039/D1NJ00894C","","","0.71073","MoKα","","0.0862","0.0454","","","0.0997","0.1141","","","","","","0.947","","","","has coordinates","266132","2021-06-05","19:19:40",""
"7060538","12.254","0.003","42.772","0.013","7.706","0.0019","90","","121.915","0.019","90","","3428.4","1.7","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H22 N5 O5 P3 -","- C33 H22 N5 O5 P3 -","- C132 H88 N20 O20 P12 -","4","1","","Mutlu Balcı, Ceylan; Tümay, Süreyya Oğuz; Beşli, Serap","ESIPT on/off switching and crystallization-enhanced emission properties of new design phenol-pyrazole modified cyclotriphosphazenes","New Journal of Chemistry","2021","45","19","8492","8505","10.1039/D1NJ00894C","","","0.71073","MoKα","","0.1953","0.0647","","","0.1138","0.1539","","","","","","0.886","","","","has coordinates","266132","2021-06-05","19:19:40",""
"7060539","12.6038","0.0002","8.2717","0.0002","18.3638","0.0004","90","","109.109","0.0012","90","","1809.02","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Tabasi, Zahra A.; Walsh, Joshua C.; Bodwell, Graham J.; Thompson, David W.; Zhao, Yuming","Comparative study of the photophysical and crystallographic properties of 4-(9H-pyreno[4,5-d]imidazol-10-yl)phenol and its alkylated derivatives","New Journal of Chemistry","2021","45","17","7647","7658","10.1039/D1NJ01102B","","","1.54178","CuKα","","0.0464","0.0425","","","0.1273","0.1314","","","","","","1.079","","","","has coordinates","266124","2021-06-05","19:18:44",""
"7060540","9.4376","0.0003","11.2292","0.0004","17.0583","0.0006","90.117","0.002","93.94","0.002","101.967","0.002","1764.07","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H54 N2 O -","- C43 H54 N2 O -","- C86 H108 N4 O2 -","2","1","","Tabasi, Zahra A.; Walsh, Joshua C.; Bodwell, Graham J.; Thompson, David W.; Zhao, Yuming","Comparative study of the photophysical and crystallographic properties of 4-(9H-pyreno[4,5-d]imidazol-10-yl)phenol and its alkylated derivatives","New Journal of Chemistry","2021","45","17","7647","7658","10.1039/D1NJ01102B","","","1.54178","CuKα","","0.0667","0.0555","","","0.1488","0.1633","","","","","","1.017","","","","has coordinates","266124","2021-06-05","19:18:44",""
"7060541","8.9659","0.0003","8.9998","0.0003","19.2836","0.0007","87.414","0.003","79.965","0.003","63.475","0.003","1369.99","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H38 N2 O3 -","- C33 H38 N2 O3 -","- C66 H76 N4 O6 -","2","1","","Tabasi, Zahra A.; Walsh, Joshua C.; Bodwell, Graham J.; Thompson, David W.; Zhao, Yuming","Comparative study of the photophysical and crystallographic properties of 4-(9H-pyreno[4,5-d]imidazol-10-yl)phenol and its alkylated derivatives","New Journal of Chemistry","2021","45","17","7647","7658","10.1039/D1NJ01102B","","x-ray","1.54184","CuKα","","0.055","0.0479","","","0.1304","0.1371","","","","","","1.058","","","","has coordinates","266124","2021-06-05","19:18:44",""
"7060542","11.3307","0.0007","7.8416","0.0007","11.397","0.001","90","","116.681","0.005","90","","904.81","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H6 F10 N2 O2 -","- C22 H6 F10 N2 O2 -","- C44 H12 F20 N4 O4 -","2","0.5","","Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre","Preponderant role of pentafluorophenyl moieties for tuning the electronic properties of extended benzodifuran-azomethine derivatives","New Journal of Chemistry","2021","45","19","8647","8653","10.1039/D1NJ01132D","","x-ray","0.71073","MoKα","","","0.0391","","","","0.1156","","","","","","1.066","","","","has coordinates","266130","2021-06-05","19:19:27",""
"7060543","11.334","0.003","12.585","0.001","12.741","0.003","69.48","0.01","66.48","0.02","63.37","0.01","1456.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H10 F15 N3 O2 -","- C32 H10 F15 N3 O2 -","- C64 H20 F30 N6 O4 -","2","1","","Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre","Preponderant role of pentafluorophenyl moieties for tuning the electronic properties of extended benzodifuran-azomethine derivatives","New Journal of Chemistry","2021","45","19","8647","8653","10.1039/D1NJ01132D","","x-ray","0.71073","MoKα","","","0.0739","","","","0.1699","","","","","","1.074","","","","has coordinates","266130","2021-06-05","19:19:27",""
"7060544","6.537","0.004","10.866","0.003","11.701","0.009","71.27","0.06","89.53","0.06","78.96","0.04","771.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H4 F20 N2 O2 -","- C36 H4 F20 N2 O2 -","- C36 H4 F20 N2 O2 -","1","0.5","","Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre","Preponderant role of pentafluorophenyl moieties for tuning the electronic properties of extended benzodifuran-azomethine derivatives","New Journal of Chemistry","2021","45","19","8647","8653","10.1039/D1NJ01132D","","x-ray","0.71073","MoKα","","","0.0849","","","","0.2205","","","","","","1.01","","","","has coordinates","266130","2021-06-05","19:19:27",""
"7060545","14.5085","0.0011","6.9929","0.0005","14.8594","0.0012","90","","90.31","0.002","90","","1507.6","0.2","127","2","127","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ORGANIC","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C64 H56 Cl8 N8 O8 -","4","1","","Kumar, Rahul; Rawat, Deepa; Semwal, Rashmi; Badhani, Gaurav; Adimurthy, Subbarayappa","Hypervalent iodine mediated synthesis of imidazo[1,2-a]pyridine ethers: consecutive methylene linkage and insertion of ethylene glycol","New Journal of Chemistry","2021","45","17","7491","7495","10.1039/D1NJ00657F","","","0.71073","Mokα","","0.0761","0.0643","","","0.1718","0.183","","","","","","1.053","","","","has coordinates","266120","2021-06-05","19:18:12",""
"7060546","12.8331","0.0012","14.2244","0.0013","15.4895","0.0015","63.296","0.003","72.834","0.003","77.698","0.003","2402.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H63 Cl2 N6 Ni2 O16.5 -","- C39 H62.66 Cl2 N6 Ni2 O16.33 -","- C78 H125.32 Cl4 N12 Ni4 O32.66 -","2","1","","Jana, Narayan Ch.; Jagličić, Zvonko; Brandão, Paula; Adak, Sarmistha; Saha, Amrita; Panja, Anangamohan","A novel triple aqua-, phenoxo- and carboxylato-bridged dinickel(ii) complex, its magnetic properties, and comparative biomimetic catalytic studies with analogous dinickel(ii) complexes","New Journal of Chemistry","2021","45","17","7602","7613","10.1039/D1NJ00708D","","","0.71073","MoKα","","0.0456","0.0321","","","0.0726","0.0794","","","","","","1.027","","","","has coordinates","266121","2021-06-05","19:18:20",""
"7060547","9.268","0.0004","11.2105","0.0004","18.8811","0.0007","87.895","0.002","78.99","0.002","77.785","0.002","1882.01","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H48 N10 Ni2 O2 S4 -","- C29 H48 N10 Ni2 O2 S4 -","- C58 H96 N20 Ni4 O4 S8 -","2","1","","Jana, Narayan Ch.; Jagličić, Zvonko; Brandão, Paula; Adak, Sarmistha; Saha, Amrita; Panja, Anangamohan","A novel triple aqua-, phenoxo- and carboxylato-bridged dinickel(ii) complex, its magnetic properties, and comparative biomimetic catalytic studies with analogous dinickel(ii) complexes","New Journal of Chemistry","2021","45","17","7602","7613","10.1039/D1NJ00708D","","","0.71073","MoKα","","0.0326","0.0248","","","0.0587","0.0623","","","","","","1.04","","","","has coordinates,has disorder","266121","2021-06-05","19:18:21",""
"7060548","18.1138","0.0011","9.9392","0.0006","19.5105","0.001","90","","108.764","0.002","90","","3325.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 Cl2 N6 Ni2 O10 -","- C25 H46 Cl2 N6 Ni2 O10 -","- C100 H184 Cl8 N24 Ni8 O40 -","4","1","","Jana, Narayan Ch.; Jagličić, Zvonko; Brandão, Paula; Adak, Sarmistha; Saha, Amrita; Panja, Anangamohan","A novel triple aqua-, phenoxo- and carboxylato-bridged dinickel(ii) complex, its magnetic properties, and comparative biomimetic catalytic studies with analogous dinickel(ii) complexes","New Journal of Chemistry","2021","45","17","7602","7613","10.1039/D1NJ00708D","","","0.71073","MoKα","","0.0441","0.0292","","","0.0648","0.0706","","","","","","1.051","","","","has coordinates,has disorder","266121","2021-06-05","19:18:21",""
"7060549","8.6572","0.0001","16.2902","0.0002","14.7873","0.0002","90","","104.282","0.001","90","","2020.96","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 Dy N4 -","- C18 H18 Cl3 Dy N4 -","- C72 H72 Cl12 Dy4 N16 -","4","1","","Zhang, Chunyang; Cheng, Zhijie; Tan, Pengfei; Lv, Wei; Cui, Huihui; Chen, Lei; Cai, Xingwei; Zhao, Yuyuan; Yuan, Aihua","Tuning the ligand field in seven-coordinate Dy(iii) complexes to perturb single-ion magnet behavior","New Journal of Chemistry","2021","45","19","8591","8596","10.1039/D1NJ00734C","","","0.71073","MoKα","","0.0249","0.0195","","","0.0449","0.0471","","","","","","1.093","","","","has coordinates","266131","2021-06-05","19:19:33",""
"7060550","14.1946","0.0004","14.768","0.0005","22.1787","0.0007","90.549","0.002","105.428","0.002","102.299","0.002","4368","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H50 Cl14 Dy2 N14 O18 -","- C73 H50 Cl14 Dy2 N14 O18 -","- C146 H100 Cl28 Dy4 N28 O36 -","2","1","","Zhang, Chunyang; Cheng, Zhijie; Tan, Pengfei; Lv, Wei; Cui, Huihui; Chen, Lei; Cai, Xingwei; Zhao, Yuyuan; Yuan, Aihua","Tuning the ligand field in seven-coordinate Dy(iii) complexes to perturb single-ion magnet behavior","New Journal of Chemistry","2021","45","19","8591","8596","10.1039/D1NJ00734C","","","0.71073","MoKα","","0.0773","0.0415","","","0.0865","0.0976","","","","","","0.968","","","","has coordinates","266131","2021-06-05","19:19:33",""
"7060551","8.9905","0.0007","14.538","0.001","21.7767","0.0015","90","","90.917","0.002","90","","2845.9","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Yttrium-organic Compound","","","- C21 H9 N3 O21 Y2 -","- C21 H9 N3 O21 Y2 -","- C84 H36 N12 O84 Y8 -","4","1","","Hui, Sayani; Majee, Prakash; Singha, Debal Kanti; Daga, Pooja; Mondal, Sudip Kumar; Mahata, Partha","pH response of a hydroxyl-functionalized luminescent metal‒organic framework based phosphor","New Journal of Chemistry","2021","45","21","9394","9402","10.1039/D1NJ00366F","","","0.71073","MoKα","","0.0466","0.0359","","","0.0978","0.1085","","","","","","1.096","","","","has coordinates","266150","2021-06-05","19:23:08",""
"7060552","12.0457","0.0006","13.8112","0.0006","14.5205","0.0006","90","","92.314","0.002","90","","2413.74","0.19","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Br Cl3 N2 O -","- C25 H19 Br Cl3 N2 O -","- C100 H76 Br4 Cl12 N8 O4 -","4","1","","Devi, Manju; Jadhav, Amol P.; Singh, Ravi P.","KOH-mediated stereoselective alkylation of 3-bromooxindoles for the synthesis of 3,3′-disubstituted oxindoles with two contiguous all carbon quaternary centres","New Journal of Chemistry","2021","45","19","8445","8448","10.1039/D0NJ06283A","","","0.71073","MoKα","","0.1097","0.0898","","","0.2211","0.2348","","","","","","1.46","","","","has coordinates","266126","2021-06-05","19:18:58",""
"7060553","22.46","0.03","10.229","0.015","18.36","0.03","90","","90","","90","","4218","11","153.15","","153.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co Gd N3 O15 -","- C33 H62 Co Gd N3 O15 -","- C132 H248 Co4 Gd4 N12 O60 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0439","0.0383","","","0.0763","0.0785","","","","","","1.072","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060554","22.6276","0.0016","10.2921","0.0007","18.4487","0.0013","90","","90","","90","","4296.4","0.5","150.15","","150.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co Dy N3 O15 -","- C33 H62 Co Dy N3 O15 -","- C132 H248 Co4 Dy4 N12 O60 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0634","0.056","","","0.1411","0.1454","","","","","","1.096","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060555","22.55","0.005","10.051","0.002","18.174","0.004","90","0.03","90","0.03","90","0.03","4119.1","1.5","156.15","","156.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co Ho N3 O15 -","- C33 H62 Co Ho N3 O15 -","- C132 H248 Co4 Ho4 N12 O60 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0299","0.0281","","","0.0611","0.0618","","","","","","1.058","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060556","22.38","0.004","10.198","0.002","18.341","0.004","90","0.03","90","0.03","90","0.03","4186","1.4","160.15","","160.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co N3 O15 Tb -","- C33 H62 Co N3 O15 Tb -","- C132 H248 Co4 N12 O60 Tb4 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0327","0.0299","","","0.0618","0.0642","","","","","","1.072","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060557","19.1223","0.0003","19.1223","0.0003","12.5887","0.0003","90","","90","","90","","4603.21","0.15","173","2","173","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C45 H44 Cu4 N4 O19 -","- C45 H44 Cu4 N4 O19 -","- C180 H176 Cu16 N16 O76 -","4","0.5","","Deng, Yun-Hu; Li, Ruo-Yu; Zhang, Jin-Qiang; Wang, Yue-Fei; Li, Jian-Ting; Guo, Wen-Ting; Dong, Wei-Kui","A novel turn-on fluorogenic aldehyde-appended salamo-like copper(ii) complex probe for the simultaneous detection of S2O32− and GSH","New Journal of Chemistry","2021","45","19","8597","8607","10.1039/D1NJ01445E","","","0.71073","MoKα","","0.0513","0.0429","","","0.1341","0.1419","","","","","","1.055","","","","has coordinates","266135","2021-06-05","19:20:02",""
"7060558","17.6455","0.0002","10.80964","0.00012","21.9761","0.0003","90","","97.1031","0.0011","90","","4159.58","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H38 Cu I N2 P2 -","- C49 H38 Cu I N2 P2 -","- C196 H152 Cu4 I4 N8 P8 -","4","1","","Zhang, Bin; Zhang, Jie; Sun, Ahui; Liu, Chunmei; Gu, Mengsi; Chen, Yahui; Wei, Bin; Du, Chenxia","Efficiently luminescent mononuclear copper iodide complexes with sterically hindered iminephosphine chelating ligands","New Journal of Chemistry","2021","45","19","8763","8768","10.1039/D1NJ00622C","","x-ray","1.54184","CuKα","","0.0454","0.0376","","","0.0932","0.1001","","","","","","1.028","","","","has coordinates","266134","2021-06-05","19:19:57",""
"7060559","17.5705","0.0019","10.9974","0.001","22.067","0.002","90","","96.709","0.004","90","","4234.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cu I N2 O P2 -","- C50 H40 Cu I N2 O P2 -","- C200 H160 Cu4 I4 N8 O4 P8 -","4","1","","Zhang, Bin; Zhang, Jie; Sun, Ahui; Liu, Chunmei; Gu, Mengsi; Chen, Yahui; Wei, Bin; Du, Chenxia","Efficiently luminescent mononuclear copper iodide complexes with sterically hindered iminephosphine chelating ligands","New Journal of Chemistry","2021","45","19","8763","8768","10.1039/D1NJ00622C","","","0.71073","MoKα","","0.0517","0.0386","","","0.1366","0.1462","","","","","","1.058","","","","has coordinates","266134","2021-06-05","19:19:57",""
"7060560","11.2132","0.0002","13.2839","0.0002","17.6392","0.0002","86.14","","76.508","0.001","75.512","0.001","2473.58","0.07","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C51 H40 Br Cl6 Cu N2 O P2 S -","- C51 H40 Br Cl6 Cu N2 O P2 S -","- C102 H80 Br2 Cl12 Cu2 N4 O2 P4 S2 -","2","1","","Khan, Syed Ishtiaq; Ahmad, Sajjad; Khan, Inayat Ali; Badshah, Amin; Rauf, Muhammad Khawar; Putejo, Jahangir Ali; Siddiq, Muhammad Nasir; Kausar, Samia; Altaf, Ataf Ali","Mononuclear copper(i) complexes of triphenylphosphine and N,N′-disubstituted thioureas as potential DNA binding chemotherapeutics","New Journal of Chemistry","2021","45","20","8925","8935","10.1039/D0NJ06182D","","x-ray","1.54178","CuKα","","0.03","0.0298","","","0.0805","0.0806","","","","","","1.028","","","","has coordinates,has disorder","266141","2021-06-05","19:21:46",""
"7060561","11.1672","0.0002","12.7045","0.0002","17.4524","0.0003","79.417","0.001","79.508","0.001","67.431","0.001","2230.47","0.07","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C50 H40 Br Cl2 Cu N2 O P2 S -","- C50 H40 Br Cl2 Cu N2 O P2 S -","- C100 H80 Br2 Cl4 Cu2 N4 O2 P4 S2 -","2","1","","Khan, Syed Ishtiaq; Ahmad, Sajjad; Khan, Inayat Ali; Badshah, Amin; Rauf, Muhammad Khawar; Putejo, Jahangir Ali; Siddiq, Muhammad Nasir; Kausar, Samia; Altaf, Ataf Ali","Mononuclear copper(i) complexes of triphenylphosphine and N,N′-disubstituted thioureas as potential DNA binding chemotherapeutics","New Journal of Chemistry","2021","45","20","8925","8935","10.1039/D0NJ06182D","","x-ray","1.54178","CuKα","","0.0345","0.0344","","","0.0933","0.0934","","","","","","1.071","","","","has coordinates,has disorder","266141","2021-06-05","19:21:46",""
"7060562","10.9342","0.0005","16.0448","0.0009","14.4614","0.0007","90","","101.911","0.003","90","","2482.4","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cu N6 O11 -","- C20 H22 Cu N6 O11 -","- C80 H88 Cu4 N24 O44 -","4","0.5","","Sharma, Pranay; Nath, Hiren; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Hussain, Sahid; Bhattacharyya, Manjit K.","Biologically relevant unusual cooperative assemblies and fascinating infinite crown-like supramolecular nitrate‒water hosts involving guest complex cations in bipyridine and phenanthroline-based Cu(ii) coordination compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","18","8269","8282","10.1039/D1NJ01004B","","","0.71073","MoKα","","0.0617","0.0522","","","0.1521","0.1601","","","","","","1.099","","","","has coordinates","266143","2021-06-05","19:22:04",""
"7060563","9.104","","20.615","","9.627","","90","","93.58","","90","","1803.26","","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl2 Cu N4 O -","- C17 H18 Cl2 Cu N4 O -","- C68 H72 Cl8 Cu4 N16 O4 -","4","1","","Sharma, Pranay; Nath, Hiren; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Hussain, Sahid; Bhattacharyya, Manjit K.","Biologically relevant unusual cooperative assemblies and fascinating infinite crown-like supramolecular nitrate‒water hosts involving guest complex cations in bipyridine and phenanthroline-based Cu(ii) coordination compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","18","8269","8282","10.1039/D1NJ01004B","","","0.71073","MoKα","","0.0648","0.044","","","0.1149","0.1273","","","","","","1.051","","","","has coordinates","266143","2021-06-05","19:22:04",""
"7060564","10.4891","0.0003","8.8508","0.0003","22.8286","0.0007","90","","91.108","0.002","90","","2118.94","0.11","170","2","169.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 B N2 O4 -","- C24 H25 B N2 O4 -","- C96 H100 B4 N8 O16 -","4","1","","Geier, Stephen J.; Binder, Justin F.; Vogels, Christopher M.; Watanabe, Lara K.; Macdonald, Charles L. B.; Westcott, Stephen A.","The hydroboration of α-diimines","New Journal of Chemistry","2021","45","33","14908","14912","10.1039/D1NJ01025E","","","1.54178","CuKα","","0.0522","0.0453","","","0.1228","0.1289","","","","","","1.046","","","","has coordinates","268873","2021-09-06","12:05:21",""
"7060565","9.9992","0.0004","8.9229","0.0004","21.833","0.0008","90","","99.004","0.002","90","","1923.98","0.14","170","2","169.84","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 B F2 N2 O2 -","- C22 H19 B F2 N2 O2 -","- C88 H76 B4 F8 N8 O8 -","4","1","","Geier, Stephen J.; Binder, Justin F.; Vogels, Christopher M.; Watanabe, Lara K.; Macdonald, Charles L. B.; Westcott, Stephen A.","The hydroboration of α-diimines","New Journal of Chemistry","2021","45","33","14908","14912","10.1039/D1NJ01025E","","","1.54178","CuKα","","0.064","0.0578","","","0.1571","0.1652","","","","","","1.052","","","","has coordinates","268873","2021-09-06","12:05:21",""
"7060566","28.1959","0.0014","11.557","0.0006","22.0519","0.0011","90","","101.603","0.002","90","","7039","0.6","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 B2 N2 O4 -","- C38 H46 B2 N2 O4 -","- C304 H368 B16 N16 O32 -","8","1","","Geier, Stephen J.; Binder, Justin F.; Vogels, Christopher M.; Watanabe, Lara K.; Macdonald, Charles L. B.; Westcott, Stephen A.","The hydroboration of α-diimines","New Journal of Chemistry","2021","45","33","14908","14912","10.1039/D1NJ01025E","","","0.71073","MoKα","","0.0769","0.0491","","","0.0948","0.1062","","","","","","1.089","","","","has coordinates","268873","2021-09-06","12:05:21",""
"7060567","12.8476","0.001","13.9629","0.0012","8.608","0.0007","90","","103.048","0.008","90","","1504.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu2 N12 O8 -","- C26 H24 Cu2 N12 O8 -","- C52 H48 Cu4 N24 O16 -","2","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.1539","0.0731","","","0.0839","0.1055","","","","","","0.935","","","","has coordinates","266138","2021-06-05","19:20:58",""
"7060568","8.2304","0.0006","14.4079","0.001","14.8621","0.0013","99.827","0.007","98.481","0.007","102.601","0.006","1663.1","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H60 Cu6 N18 O27 -","- C51 H60 Cu6 N18 O27 -","- C51 H60 Cu6 N18 O27 -","1","1","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.1771","0.0841","","","0.1484","0.184","","","","","","0.991","","","","has coordinates","266138","2021-06-05","19:20:58",""
"7060569","7.6979","0.0003","15.6162","0.0012","13.5766","0.0007","90","","91.386","0.005","90","","1631.59","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cu N16 O10 -","- C28 H26 Cu N16 O10 -","- C56 H52 Cu2 N32 O20 -","2","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.1253","0.0588","","","0.0668","0.0839","","","","","","0.894","","","","has coordinates","266138","2021-06-05","19:20:58",""
"7060570","5.543","0.0004","9.8667","0.0006","10.8819","0.0007","86.805","0.005","82.711","0.006","77.543","0.006","576.19","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cu N12 O4 -","- C22 H18 Cu N12 O4 -","- C22 H18 Cu N12 O4 -","1","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.046","0.0403","","","0.1042","0.1108","","","","","","1.001","","","","has coordinates","266138","2021-06-05","19:20:58",""
"7060571","7.5121","0.0004","8.9971","0.0015","15.7735","0.0012","103.632","0.01","90.299","0.007","113.845","0.014","941.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Cu2 N14 O8 -","- C36 H30 Cu2 N14 O8 -","- C36 H30 Cu2 N14 O8 -","1","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.0684","0.0499","","","0.1204","0.1249","","","","","","1","","","","has coordinates","266138","2021-06-05","19:20:59",""
"7060572","5.3026","0.0008","8.8828","0.0015","18.203","0.003","102.727","0.014","96.166","0.012","93.241","0.013","828.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Cu N9 O6 -","- C14 H9 Cu N9 O6 -","- C28 H18 Cu2 N18 O12 -","2","1","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.1203","0.0817","","","0.1779","0.2083","","","","","","0.999","","","","has coordinates","266138","2021-06-05","19:20:59",""
"7060573","14.8001","0.0007","9.002","0.0005","16.9972","0.0012","90","","92.205","0.005","90","","2262.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Cu N28 O6 -","- C40 H30 Cu N28 O6 -","- C80 H60 Cu2 N56 O12 -","2","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.1652","0.0706","","","0.0806","0.1047","","","","","","0.911","","","","has coordinates,has disorder","266138","2021-06-05","19:20:59",""
"7060574","11.5519","0.0004","22.6083","0.0007","9.0408","0.0004","90","","99.884","0.004","90","","2326.13","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H34.5 Cu N27.5 O7.5 -","- C40.5 H34.5 Cu N27.5 O7.5 -","- C81 H69 Cu2 N55 O15 -","2","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.0829","0.0545","","","0.139","0.1608","","","","","","1","","","","has coordinates","266138","2021-06-05","19:20:59",""
"7060575","22.1869","0.0013","11.1524","0.0004","26.3773","0.0016","90","","101.554","0.005","90","","6394.5","0.6","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H32 F Fe N3 O -","- C42 H32 F Fe N3 O -","- C336 H256 F8 Fe8 N24 O8 -","8","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.1051","0.0469","","","0.0972","0.1147","","","","","","0.93","","","","has coordinates","266137","2021-06-05","19:20:47",""
"7060576","26.2128","0.0008","5.0027","0.0001","10.2514","0.0003","90","","93.435","0.002","90","","1341.9","0.06","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0807","0.0543","","","0.1154","0.1273","","","","","","1.045","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060577","7.2134","0.0002","7.6001","0.0003","23.6778","0.0008","90","","91.77","0.003","90","","1297.46","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cl N O2 -","- C12 H18 Cl N O2 -","- C48 H72 Cl4 N4 O8 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.5418","CuKα","","0.0458","0.0428","","","0.1144","0.1187","","","","","","1.052","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060578","17.3774","0.0004","28.6511","0.0007","7.6327","0.0002","90","","90","","90","","3800.18","0.16","298.15","","298.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H27 Bi2 Cl4 N9 S2 -","- C30 H27 Bi2 Cl4 N9 S2 -","- C120 H108 Bi8 Cl16 N36 S8 -","4","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","x-ray","0.71073","MoKα","","0.0509","0.0354","","","0.0641","0.0684","","","","","","1.046","","","","has coordinates,has disorder","266137","2021-06-05","19:20:48",""
"7060579","15.8971","0.0007","6.3996","0.0002","21.4345","0.001","90","","90.022","0.004","90","","2180.64","0.16","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl N O2 -","- C10 H14 Cl N O2 -","- C80 H112 Cl8 N8 O16 -","8","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.54184","CuKα","","0.0525","0.049","","","0.1341","0.1399","","","","","","1.026","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060580","5.7811","0.0006","14.4499","0.0013","22.9945","0.0019","90","","94.696","0.008","90","","1914.4","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 F2 N3 -","- C24 H19 F2 N3 -","- C96 H76 F8 N12 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","x-ray","0.71073","MoKα","","0.105","0.0516","","","0.0959","0.1166","","","","","","0.978","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060581","5.5309","0.0001","15.5653","0.0003","27.3771","0.0005","90","","90","","90","","2356.9","0.08","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Cl2 N O3 -","- C28 H20 Cl2 N O3 -","- C112 H80 Cl8 N4 O12 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.54178","CuKα","","0.071","0.0599","","","0.1446","0.1625","","","","","","1.042","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060582","6.7668","0.0004","20.5244","0.0012","14.1899","0.0008","90","","90","","90","","1970.8","0.2","293","2","293","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C18 H10 Cd N3 O6 -","- C18 H10 Cd N3 O6 -","- C72 H40 Cd4 N12 O24 -","4","0.25","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0331","0.0322","","","0.0944","0.0951","","","","","","1.14","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060583","8.3492","0.0003","12.3145","0.0005","14.6583","0.0006","66.874","0.002","80.546","0.002","73.791","0.002","1328.36","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H34 N3 O7 Zn -","- C25 H34 N3 O7 Zn -","- C50 H68 N6 O14 Zn2 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.046","0.0404","","","0.1141","0.118","","","","","","1.046","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060584","8.3263","0.0004","10.2086","0.0004","11.5327","0.0005","106.51","0.003","90.708","0.003","95.898","0.002","934","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O4 Zn -","- C19 H22 N2 O4 Zn -","- C38 H44 N4 O8 Zn2 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0406","0.0353","","","0.0908","0.0944","","","","","","1.053","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060585","8.3339","0.0003","12.2926","0.0005","14.6424","0.0006","66.842","0.002","80.572","0.002","73.764","0.002","1321.71","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 N3 O7 Zn -","- C25 H32 N3 O7 Zn -","- C50 H64 N6 O14 Zn2 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0747","0.0501","","","0.1199","0.1328","","","","","","0.966","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060586","6.7629","0.0002","20.5483","0.0005","14.1909","0.0004","90","","90","","90","","1972.05","0.09","293","2","293","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C18 H10 Cd N3 O6 -","- C18 H10 Cd N3 O6 -","- C72 H40 Cd4 N12 O24 -","4","0.25","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.034","0.0336","","","0.0966","0.0974","","","","","","1.155","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060587","11.409","0.0007","11.409","0.0007","6.5079","0.0004","90","","90","","120","","733.61","0.08","120","2","120","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","3,5-Dichloro-1H-1,2,4-triazole","","- C2 H Cl2 N3 -","- C2 H Cl2 N3 -","- C12 H6 Cl12 N18 -","6","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0201","0.0195","","","0.0481","0.0484","","","","","","1.146","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060588","6.7593","0.0002","20.5293","0.0007","14.1956","0.0005","90","","90","","90","","1969.83","0.11","293","2","293","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C18 H10 Cd N3 O6 -","- C18 H10 Cd N3 O6 -","- C72 H40 Cd4 N12 O24 -","4","0.25","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0319","0.0314","","","0.0956","0.0963","","","","","","1.103","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060589","12.2131","0.0006","11.3453","0.0005","16.9589","0.0006","90","","101.552","0.002","90","","2302.25","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N4 O3 S -","- C25 H22 N4 O3 S -","- C100 H88 N16 O12 S4 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0752","0.0476","","","0.1243","0.1452","","","","","","1.023","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060590","16.7686","0.0013","5.065","0.0003","12.2716","0.0008","90","","109.705","0.008","90","","981.23","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C40 H48 Cl4 N4 O8 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.5418","CuKα","","0.0588","0.0499","","","0.1397","0.1555","","","","","","1.071","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060591","9.5988","0.0011","9.848","0.0012","19.5275","0.0019","90","","90","","90","","1845.9","0.4","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0422","0.035","","","0.0827","0.0917","","","","","","1.089","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060592","10.0578","0.0009","7.1899","0.0006","13.1297","0.0009","90","","102.178","0.001","90","","928.1","0.13","295","2","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C38 H36 N8 O6 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.54186","CuKα","","0.1452","0.0843","","","0.1316","0.1846","","","","","","0.891","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060593","9.5464","0.0003","11.3522","0.0003","16.3209","0.0005","79.8713","0.0009","82.8439","0.001","76.7777","0.001","1688.44","0.09","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Br Cl3 N2 O3 S -","- C35 H32 Br Cl3 N2 O3 S -","- C70 H64 Br2 Cl6 N4 O6 S2 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.1317","0.0939","","","0.2284","0.2488","","","","","","1.086","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060594","16.5236","0.0001","19.3475","0.0001","31.8128","0.0002","90","","90","","90","","10170.2","0.1","169.98","0.13","169.98","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C112 H106 Cl4 Fe2 N6 -","- C112 H106 Cl4 Fe2 N6 -","- C448 H424 Cl16 Fe8 N24 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.54184","CuKα","","0.0377","0.0311","","","0.0747","0.0818","","","","","","1.041","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060595","7.078","0.0003","14.5585","0.0005","20.136","0.0008","90","","90","","90","","2074.92","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N4 O4 Pd -","- C21 H21 Br N4 O4 Pd -","- C84 H84 Br4 N16 O16 Pd4 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0377","0.0279","","","0.0508","0.0533","","","","","","1.043","","","","has coordinates,has disorder","266137","2021-06-05","19:20:48",""
"7060596","25.3491","0.0002","24.3546","0.0002","17.1885","0.0001","90","","99.294","0.001","90","","10472.3","0.14","171","3","171","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H114 Cl4 Fe2 N6 -","- C116 H114 Cl4 Fe2 N6 -","- C464 H456 Cl16 Fe8 N24 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","x-ray","1.54184","CuKα","","0.0565","0.042","","","0.1079","0.1179","","","","","","1.047","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060597","15.9055","0.0009","7.1059","0.0004","16.6403","0.0011","90","","106.502","0.008","90","","1803.3","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-(5-Methylthiophen-2-yl)pyridin-1-ium-1-yl)-2,5-dioxo-1-(perfluorophenyl)-2,5-dihydro-1H-pyrrol-3-olate","","- C20 H9 F5 N2 O3 S -","- C20 H9 F5 N2 O3 S -","- C80 H36 F20 N8 O12 S4 -","4","1","","Hayashi, Yuichiro; Suzuki, Naoya; Maeda, Takeshi; Fujiwara, Hideki; Yagi, Shigeyuki","Photophysical properties of 4-(5-methylthiophen-2-yl)pyridinium‒cyclic enolate betaine dyes tuned by control of twisted intramolecular transfer","New Journal of Chemistry","2021","45","22","9770","9779","10.1039/D1NJ00714A","","","0.71075","MoKα","","","0.0408","","","","0.0482","","","","","","1.086","","","","has coordinates","267210","2021-07-05","18:04:06",""
"7060598","16.5565","0.0017","14.5139","0.0015","21.112","0.002","90","","104.938","0.002","90","","4901.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H42 N7 O10 Zn -","- C53 H42 N7 O10 Zn -","- C212 H168 N28 O40 Zn4 -","4","1","","Gee, William J.; Wells, Stephen A.; Teat, Simon J.; Raithby, Paul R.; Burrows, Andrew D.","Using geometric simulation software ‘GASP’ to model conformational flexibility in a family of zinc metal‒organic frameworks","New Journal of Chemistry","2021","45","19","8728","8737","10.1039/D1NJ01158H","","","0.71073","synchrotron","","0.0754","0.0635","","","0.1845","0.1957","","","","","","1.037","","","","has coordinates,has disorder","266129","2021-06-05","19:19:21",""
"7060599","15.823","0.004","16.228","0.005","22.53","0.006","90","","108.133","0.004","90","","5498","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C106 H100 N8 O25 S8 Zn2 -","- C106 H100 N8 O25 S8 Zn2 -","- C212 H200 N16 O50 S16 Zn4 -","2","0.5","","Gee, William J.; Wells, Stephen A.; Teat, Simon J.; Raithby, Paul R.; Burrows, Andrew D.","Using geometric simulation software ‘GASP’ to model conformational flexibility in a family of zinc metal‒organic frameworks","New Journal of Chemistry","2021","45","19","8728","8737","10.1039/D1NJ01158H","","","0.71073","synchrotron","","0.1583","0.1087","","","0.2802","0.3224","","","","","","1.047","","","","has coordinates,has disorder","266129","2021-06-05","19:19:21",""
"7060600","17.733","0.005","11.753","0.003","22.79","0.006","90","","96.427","0.004","90","","4720","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H24 N5 O11 Zn -","- C48 H24 N5 O11 Zn -","- C192 H96 N20 O44 Zn4 -","4","1","","Gee, William J.; Wells, Stephen A.; Teat, Simon J.; Raithby, Paul R.; Burrows, Andrew D.","Using geometric simulation software ‘GASP’ to model conformational flexibility in a family of zinc metal‒organic frameworks","New Journal of Chemistry","2021","45","19","8728","8737","10.1039/D1NJ01158H","","","0.71073","synchrotron","","0.1249","0.1037","","","0.3004","0.322","","","","","","1.089","","","","has coordinates,has disorder","266129","2021-06-05","19:19:21",""
"7060601","8.621","0.003","14.613","0.005","8.627","0.003","90","","97.998","0.012","90","","1076.2","0.6","141","2","141","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H3 N7 O -","- C3 H3 N7 O -","- C24 H24 N56 O8 -","8","2","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia","Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density","New Journal of Chemistry","2021","45","21","9358","9367","10.1039/D1NJ00924A","","","0.71073","MoKα","","0.0601","0.0385","","","0.0847","0.0994","","","","","","1.099","","","","has coordinates","266149","2021-06-05","19:23:02",""
"7060602","12.6514","0.0015","5.2884","0.0006","7.4471","0.0008","90","","92.903","0.004","90","","497.61","0.1","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H2 N6 O -","- C3 H2 N6 O -","- C12 H8 N24 O4 -","4","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia","Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density","New Journal of Chemistry","2021","45","21","9358","9367","10.1039/D1NJ00924A","","","0.71073","MoKα","","0.0247","0.0244","","","0.0639","0.0641","","","","","","1.066","","","","has coordinates","266149","2021-06-05","19:23:02",""
"7060603","4.0295","0.0011","12.201","0.003","14.678","0.004","90","","91.823","0.01","90","","721.3","0.3","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H7 N7 O2 -","- C3 H7 N7 O2 -","- C12 H28 N28 O8 -","4","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia","Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density","New Journal of Chemistry","2021","45","21","9358","9367","10.1039/D1NJ00924A","","","0.71073","MoKα","","0.068","0.0622","","","0.1545","0.1592","","","","","","1.083","","","","has coordinates","266149","2021-06-05","19:23:02",""
"7060604","3.7934","0.0004","7.4317","0.0007","8.7328","0.0008","105.198","0.005","100.874","0.005","92.381","0.005","232.24","0.04","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C4 H10 N10 O2 -","- C4 H10 N10 O2 -","- C4 H10 N10 O2 -","1","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia","Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density","New Journal of Chemistry","2021","45","21","9358","9367","10.1039/D1NJ00924A","","","0.71073","MoKα","","0.0575","0.0468","","","0.0993","0.1044","","","","","","1.153","","","","has coordinates","266149","2021-06-05","19:23:02",""
"7060605","13.937","0.008","7.336","0.004","15.771","0.008","90","","95.94","0.03","90","","1603.8","1.5","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O4 S Si -","- C15 H20 N2 O4 S Si -","- C60 H80 N8 O16 S4 Si4 -","4","1","","Trofimova, Olga; Grebneva, Ekaterina; Bolgova, Yuliya; Belogolova, Elena; Emel’yanov, Artem; Albanov, Alexander; Borodina, Tat’yana; Ivanova, Anastasiya; Korzhova, Svetlana; Pozdnyakov, Alexander","The synthesis, characterization, and theoretical analysis of novel Si-substituted silylethyl derivatives of 2-mercaptobenzoxazole and 2-mercaptobenzothiazole","New Journal of Chemistry","2021","45","21","9416","9426","10.1039/D1NJ00793A","","","0.71073","MoKα","","0.0332","0.0285","","","0.0738","0.0772","","","","","","1.0563","","","","has coordinates","266151","2021-06-05","19:23:14",""
"7060606","13.187","0.005","10.587","0.004","13.213","0.005","90","","117.361","0.016","90","","1638.3","1.1","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O3 S2 Si -","- C15 H20 N2 O3 S2 Si -","- C60 H80 N8 O12 S8 Si4 -","4","1","","Trofimova, Olga; Grebneva, Ekaterina; Bolgova, Yuliya; Belogolova, Elena; Emel’yanov, Artem; Albanov, Alexander; Borodina, Tat’yana; Ivanova, Anastasiya; Korzhova, Svetlana; Pozdnyakov, Alexander","The synthesis, characterization, and theoretical analysis of novel Si-substituted silylethyl derivatives of 2-mercaptobenzoxazole and 2-mercaptobenzothiazole","New Journal of Chemistry","2021","45","21","9416","9426","10.1039/D1NJ00793A","","","0.71073","MoKα","","0.0253","0.0239","","","0.0626","0.0638","","","","","","1.039","","","","has coordinates","266151","2021-06-05","19:23:14",""
"7060607","41.2198","0.0006","5.8202","0.0001","8.0162","0.0002","90","","90.988","0.001","90","","1922.86","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O S2 -","- C24 H22 O S2 -","- C96 H88 O4 S8 -","4","1","","Feriancová, Lucia; Cigáň, Marek; Gmucová, Katarína; Kožíšek, Jozef; Nádaždy, Vojtech; Putala, Martin","Effect of electron-withdrawing groups on molecular properties of naphthyl and anthryl bithiophenes as potential n-type semiconductors","New Journal of Chemistry","2021","45","22","9794","9804","10.1039/D1NJ01100F","","x-ray","1.54186","CuKα","","0.0307","0.0296","","","0.0782","0.0788","","","","","","1.033","","","","has coordinates","267215","2021-07-05","18:04:36",""
"7060608","29.2832","0.0008","5.9351","0.0001","14.672","0.0003","90","","97.692","0.002","90","","2527.03","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H11 F15 O S2 -","- C26 H11 F15 O S2 -","- C104 H44 F60 O4 S8 -","4","1","","Feriancová, Lucia; Cigáň, Marek; Gmucová, Katarína; Kožíšek, Jozef; Nádaždy, Vojtech; Putala, Martin","Effect of electron-withdrawing groups on molecular properties of naphthyl and anthryl bithiophenes as potential n-type semiconductors","New Journal of Chemistry","2021","45","22","9794","9804","10.1039/D1NJ01100F","","x-ray","1.54186","CuKα","","0.1333","0.1209","","","0.2959","0.3036","","","","","","1.092","","","","has coordinates","267215","2021-07-05","18:04:37",""
"7060609","13.4285","0.0007","15.7599","0.0009","16.4621","0.0009","90","","90","","90","","3483.9","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Cl5 O6 Pt2 S2 -","- C31 H27 Cl5 O6 Pt2 S2 -","- C124 H108 Cl20 O24 Pt8 S8 -","4","1","","Dutta, Pradip; Kumari, Smita; Paulraj, Justin; Sharma, Rupali; Vijaykumar, Gonela; Sankar Das, Hari; P, Sreejyothi; Sil, Swagata; Mandal, Swadhin K.; Sengupta, Aniruddha; Sarkar, Arindam","Phenalenyl based platinum anticancer compounds with superior efficacy: design, synthesis, characterization, and interaction with nuclear DNA","New Journal of Chemistry","2021","45","23","10524","10533","10.1039/D0NJ06229D","","","0.71073","MoKα","","0.069","0.0408","","","0.0799","0.0897","","","","","","1.069","","","","has coordinates","267223","2021-07-05","18:06:28",""
"7060610","8.7866","0.0011","12.3894","0.0009","12.6125","0.0012","90","","94.728","0.005","90","","1368.3","0.2","295","","295","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 S4 Se -","- C10 H10 N2 S4 Se -","- C40 H40 N8 S16 Se4 -","4","1","","Le Gal, Yann; Roisnel, Thierry; Barrière, Frédéric; Mori, Takehiko; Lorcy, Dominique","Diselenolene proligands: reactivity and comparison with their dithiolene congeners","New Journal of Chemistry","2021","45","20","8971","8977","10.1039/D1NJ01335A","","x-ray","0.71073","MoKα","","0.044","0.0297","","","0.0796","0.0876","","","","","","1.069","","","","has coordinates","266140","2021-06-05","19:21:40",""
"7060611","7.9196","0.0007","8.7472","0.0007","20.8069","0.0019","90","","99.984","0.003","90","","1419.6","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 S4 Se2 -","- C10 H10 N2 S4 Se2 -","- C40 H40 N8 S16 Se8 -","4","1","","Le Gal, Yann; Roisnel, Thierry; Barrière, Frédéric; Mori, Takehiko; Lorcy, Dominique","Diselenolene proligands: reactivity and comparison with their dithiolene congeners","New Journal of Chemistry","2021","45","20","8971","8977","10.1039/D1NJ01335A","","x-ray","0.71073","MoKα","","0.0283","0.0238","","","0.0558","0.0579","","","","","","1.026","","","","has coordinates","266140","2021-06-05","19:21:40",""
"7060612","10.2751","0.0014","22.028","0.002","41.384","0.007","90","","90","","90","","9367","2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H56 O8 Si8 -","- C36 H56 O8 Si8 -","- C288 H448 O64 Si64 -","8","2","","Kholodkov, Dmitry N.; Eremchuk, Kseniia I.; Soldatkin, Yuri V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Anisimov, Anton A.; Novikov, Roman A.; Arzumanyan, Ashot V.","Stereoregular cyclic p-tolyl-siloxanes with alkyl, O- and N-containing groups as promising reagents for the synthesis of functionalized organosiloxanes","New Journal of Chemistry","2021","45","22","9805","9810","10.1039/D1NJ01222C","","","0.71073","MoKα","","0.1305","0.0831","","","0.1705","0.189","","","","","","1.055","","","","has coordinates,has disorder","267214","2021-07-05","18:04:31",""
"7060613","10.312","0.002","12.187","0.002","10.6044","0.0019","90","","100.686","0.006","90","","1309.6","0.4","103","0.2","103","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H19 B Cl N O5 -","- C8 H19 B Cl N O5 -","- C32 H76 B4 Cl4 N4 O20 -","4","1","","Li, Huizhen; Li, Yunhui; Kang, Jiaxin; Fan, Lin; Yang, Qiuyu; Li, Shujun; Rahman, Abdul; Chen, Daqi","Reactivity and mechanisms of hydridic hydrogen of B‒H in ammonia borane towards acetic acids: the ammonia B-monoacyloxy boranes","New Journal of Chemistry","2021","45","22","9904","9911","10.1039/D1NJ01727F","","","0.71073","MoKα","","0.0943","0.0751","","","0.1816","0.2027","","","","","","1.016","","","","has coordinates","267211","2021-07-05","18:04:12",""
"7060614","8.6163","0.0011","11.914","0.0015","13.6933","0.0016","90","","99.807","0.003","90","","1385.1","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 B Cl2 N O5 -","- C8 H18 B Cl2 N O5 -","- C32 H72 B4 Cl8 N4 O20 -","4","1","","Li, Huizhen; Li, Yunhui; Kang, Jiaxin; Fan, Lin; Yang, Qiuyu; Li, Shujun; Rahman, Abdul; Chen, Daqi","Reactivity and mechanisms of hydridic hydrogen of B‒H in ammonia borane towards acetic acids: the ammonia B-monoacyloxy boranes","New Journal of Chemistry","2021","45","22","9904","9911","10.1039/D1NJ01727F","","","0.71073","MoKα","","0.1077","0.056","","","0.128","0.1476","","","","","","0.91","","","","has coordinates,has disorder","267211","2021-07-05","18:04:12",""
"7060615","7.9257","0.0006","17.9072","0.0012","10.7961","0.0007","90","","92.024","0.002","90","","1531.3","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N6 S -","- C16 H12 N6 S -","- C64 H48 N24 S4 -","4","1","","Bera, Pradip; Aher, Abhishek; Brandao, Paula; Manna, Sunil Kumar; Bhattacharyya, Indranil; Mondal, Gopinath; Jana, Abhimanyu; Santra, Ananyakumari; Bera, Pulakesh","Anticancer activity, DNA binding and docking study of M(ii)-complexes (M = Zn, Cu and Ni) derived from a new pyrazine‒thiazole ligand: synthesis, structure and DFT","New Journal of Chemistry","2021","45","27","11999","12015","10.1039/D0NJ05883A","","","0.71073","MoKα","","0.0533","0.0385","","","0.0929","0.1018","","","","","","1.036","","","","has coordinates","268859","2021-09-06","12:01:32",""
"7060616","37.6726","0.0013","9.0541","0.0003","18.5487","0.0007","90","","105.772","0.001","90","","6088.6","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 N12 S2 Zn -","- C32 H22 N12 S2 Zn -","- C256 H176 N96 S16 Zn8 -","8","1","","Bera, Pradip; Aher, Abhishek; Brandao, Paula; Manna, Sunil Kumar; Bhattacharyya, Indranil; Mondal, Gopinath; Jana, Abhimanyu; Santra, Ananyakumari; Bera, Pulakesh","Anticancer activity, DNA binding and docking study of M(ii)-complexes (M = Zn, Cu and Ni) derived from a new pyrazine‒thiazole ligand: synthesis, structure and DFT","New Journal of Chemistry","2021","45","27","11999","12015","10.1039/D0NJ05883A","","","0.71073","MoKα","","0.0557","0.0347","","","0.0743","0.0841","","","","","","1.043","","","","has coordinates","268859","2021-09-06","12:01:35",""
"7060617","9.7741","0.0011","12.1509","0.0013","14.074","0.0016","94.392","0.004","90.811","0.004","94.002","0.004","1662.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H22 Cl N12 Ni O4 S2 -","- C32 H22 Cl N12 Ni O4 S2 -","- C64 H44 Cl2 N24 Ni2 O8 S4 -","2","1","","Bera, Pradip; Aher, Abhishek; Brandao, Paula; Manna, Sunil Kumar; Bhattacharyya, Indranil; Mondal, Gopinath; Jana, Abhimanyu; Santra, Ananyakumari; Bera, Pulakesh","Anticancer activity, DNA binding and docking study of M(ii)-complexes (M = Zn, Cu and Ni) derived from a new pyrazine‒thiazole ligand: synthesis, structure and DFT","New Journal of Chemistry","2021","45","27","11999","12015","10.1039/D0NJ05883A","","","0.71073","MoKα","","0.0791","0.0487","","","0.1156","0.1315","","","","","","1.032","","","","has coordinates","268859","2021-09-06","12:01:35",""
"7060618","7.9426","0.0002","12.3331","0.0003","17.1446","0.0004","75","0.001","83.451","0.001","84.215","0.001","1607.17","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H47 Cl N2 Ni O3 P2 -","- C30 H47 Cl N2 Ni O3 P2 -","- C60 H94 Cl2 N4 Ni2 O6 P4 -","2","1","","Castillo-García, Antonio A.; González-Sebastián, Lucero; Lomas-Romero, Leticia; Hernandez-Ortega, Simon; Toscano, Ruben A.; Morales-Morales, David","Novel meta-benzothiazole and benzimidazole functionalised POCOP-Ni(ii) pincer complexes as efficient catalysts in the production of diarylketones","New Journal of Chemistry","2021","45","23","10204","10216","10.1039/D1NJ01348C","","","0.71073","MoKα","","0.0555","0.0345","","","0.0663","0.0733","","","","","","0.949","","","","has coordinates","267224","2021-07-05","18:06:34",""
"7060619","17.1985","0.0011","15.1991","0.0009","10.8855","0.0006","90","","104.68","0.002","90","","2752.6","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Cl N2 Ni O2 P2 -","- C25 H35 Cl N2 Ni O2 P2 -","- C100 H140 Cl4 N8 Ni4 O8 P8 -","4","1","","Castillo-García, Antonio A.; González-Sebastián, Lucero; Lomas-Romero, Leticia; Hernandez-Ortega, Simon; Toscano, Ruben A.; Morales-Morales, David","Novel meta-benzothiazole and benzimidazole functionalised POCOP-Ni(ii) pincer complexes as efficient catalysts in the production of diarylketones","New Journal of Chemistry","2021","45","23","10204","10216","10.1039/D1NJ01348C","","","0.71073","MoKα","","0.0768","0.0423","","","0.0885","0.1037","","","","","","1.024","","","","has coordinates","267224","2021-07-05","18:06:34",""
"7060620","4.9091","0.0009","6.622","0.0008","8.103","0.002","90","","99.75","0.02","90","","259.61","0.09","112","2","112","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-cyclopropyl-5H-tetrazole","1-cyclopropyl-5H-tetrazole","","- C4 H6 N4 -","- C4 H6 N4 -","- C8 H12 N8 -","2","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0579","0.0434","","","0.0831","0.0941","","","","","","1.102","","","","has coordinates","267220","2021-07-05","18:05:55",""
"7060621","14.4782","0.0013","6.3738","0.0003","9.7644","0.0005","90","","92.052","0.006","90","","900.49","0.1","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dinitrato di(1-cyclobutyl-5H-tetrazolyl copper(II)","dinitrato di(1-cyclobutyl-5H-tetrazolyl copper(II)","","- C12 H20 Cu N10 O6 -","- C12 H20 Cu N10 O6 -","- C24 H40 Cu2 N20 O12 -","2","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0672","0.0506","","","0.122","0.1371","","","","","","1.052","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060622","21.6878","0.0012","6.4701","0.0005","24.9341","0.0013","90","","104.209","0.004","90","","3391.8","0.4","127","2","127","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","dichlorato tetrakis(1-cyclopentyl)tetrazole copper(II)","dichlorato tetrakis(1-cyclopentyl)tetrazole copper(II)","","- C24 H40 Cl2 Cu N16 O6 -","- C24 H40 Cl2 Cu N16 O6 -","- C96 H160 Cl8 Cu4 N64 O24 -","4","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0354","0.0304","","","0.0753","0.0794","","","","","","1.057","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060623","10.4489","0.0004","13.0298","0.0005","17.6353","0.0007","90","","102.235","0.004","90","","2346.46","0.16","105","2","105","2","","","","","","","","5","I 1 a 1","I -2ya","9","dinitrato tris(1-cyclobutyl-5H-tetrazolyl) copper(II)","dinitrato tris(1-cyclobutyl-5H-tetrazolyl) copper(II)","","- C15 H24 Cu N14 O6 -","- C15 H24 Cu N14 O6 -","- C60 H96 Cu4 N56 O24 -","4","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0309","0.0269","","","0.0584","0.0604","","","","","","1.056","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060624","10.7309","0.0007","10.7309","0.0007","29.207","0.002","90","","90","","120","","2912.7","0.3","107","2","107","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl)iron(II) perchlorate","hexakis(1-cyclopropyl)iron(II) perchlorate","","- C24 H36 Cl2 Fe N24 O8 -","- C24 H36 Cl2 Fe N24 O8 -","- C72 H108 Cl6 Fe3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0367","0.0298","","","0.068","0.0713","","","","","","1.055","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060625","10.888","0.0006","10.888","0.0006","29.5174","0.0017","90","","90","","120","","3030.4","0.3","106","2","106","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)manganese(II) diperchlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)manganese(II) diperchlorate","","- C24 H36 Cl2 Mn N24 O8 -","- C24 H36 Cl2 Mn N24 O8 -","- C72 H108 Cl6 Mn3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0352","0.0293","","","0.0734","0.0768","","","","","","1.082","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060626","11.0187","0.0005","12.6481","0.0008","13.4478","0.0008","86.257","0.005","73.006","0.005","82.596","0.005","1776.63","0.18","103","2","103","2","","","","","","","","6","P -1","-P 1","2","aqua tetrakis(1-cyclopentyl-5H-tetrazole) copper(II) diperchlorate","aqua tetrakis(1-cyclopentyl-5H-tetrazole) copper(II) diperchlorate","","- C48 H84 Cl4 Cu2 N32 O18 -","- C48 H84 Cl4 Cu2 N32 O18 -","- C48 H84 Cl4 Cu2 N32 O18 -","1","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0772","0.0499","","","0.1171","0.1416","","","","","","1.065","","","","has coordinates,has disorder","267220","2021-07-05","18:05:56",""
"7060627","10.7417","0.0015","10.7417","0.0015","29.826","0.005","90","","90","","120","","2980.4","0.8","115","2","115","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl)tetrazole copper(II) perchlorate","hexakis(1-cyclopropyl)tetrazole copper(II) perchlorate","","- C24 H36 Cl2 Cu N24 O8 -","- C24 H36 Cl2 Cu N24 O8 -","- C72 H108 Cl6 Cu3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.054","0.0405","","","0.0888","0.0953","","","","","","1.062","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060628","10.7815","0.0005","10.7815","0.0005","29.591","0.0018","90","","90","","120","","2978.9","0.3","107","2","107","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)zinc(II) diperchlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)zinc(II) diperchlorate","","- C24 H36 Cl2 N24 O8 Zn -","- C24 H36 Cl2 N24 O8 Zn -","- C72 H108 Cl6 N72 O24 Zn3 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0567","0.0383","","","0.0784","0.0852","","","","","","1.015","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060629","10.9182","0.001","10.9182","0.001","28.166","0.003","90","","90","","120","","2907.8","0.5","127","2","127","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)copper(II) dichlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)copper(II) dichlorate","","- C24 H36 Cl2 Cu N24 O6 -","- C24 H36 Cl2 Cu N24 O6 -","- C72 H108 Cl6 Cu3 N72 O18 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0381","0.0299","","","0.0759","0.0797","","","","","","1.056","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060630","19.4982","0.0005","15.0587","0.0005","20.7916","0.0005","90","","90","","90","","6104.8","0.3","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","dinitrato di(1-cyclopropyl-5H-tetrazolyl) copper(II)","dinitrato di(1-cyclopropyl-5H-tetrazolyl) copper(II)","","- C16 H24 Cu2 N20 O12 -","- C16 H24 Cu2 N20 O12 -","- C128 H192 Cu16 N160 O96 -","8","2","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.1089","0.059","","","0.094","0.1121","","","","","","1.021","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060631","17.0836","0.0007","11.1197","0.0005","17.2721","0.0009","90","","93.681","0.004","90","","3274.3","0.3","111","2","111","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","aqua(tetrakis(1-cyclopropyl-5H-tetrazolyl)copper(II) diperchlorate","aqua(tetrakis(1-cyclopropyl-5H-tetrazolyl)copper(II) diperchlorate","","- C40 H68 Cl4 Cu2 N32 O18 -","- C40 H68 Cl4 Cu2 N32 O18 -","- C80 H136 Cl8 Cu4 N64 O36 -","2","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.1039","0.0579","","","0.1023","0.1217","","","","","","1.013","","","","has coordinates,has disorder","267220","2021-07-05","18:05:56",""
"7060632","6.7946","0.0004","18.1424","0.0012","12.472","0.0007","90","","96.844","0.006","90","","1526.47","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","dinitrato tetrakis(1-cyclobutyl-5H-tetrazolyl) copper(II)","dinitrato tetrakis(1-cyclobutyl-5H-tetrazolyl) copper(II)","","- C20 H32 Cl2 Cu N16 O6 -","- C20 H32 Cl2 Cu N16 O6 -","- C40 H64 Cl4 Cu2 N32 O12 -","2","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0451","0.0325","","","0.0721","0.0774","","","","","","1.014","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060633","10.9914","0.0008","11.9384","0.0009","14.9946","0.0011","112.552","0.007","90.35","0.006","96.674","0.006","1802.1","0.3","101","2","101","2","","","","","","","","6","P -1","-P 1","2","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) zinc(II) diperchlorate","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) zinc(II) diperchlorate","","- C24 H44 Cl2 N16 O10 Zn -","- C24 H44 Cl2 N16 O10 Zn -","- C48 H88 Cl4 N32 O20 Zn2 -","2","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0924","0.0665","","","0.1702","0.195","","","","","","1.038","","","","has coordinates,has disorder","267220","2021-07-05","18:05:56",""
"7060634","5.587","0.0003","6.9121","0.0004","13.09","0.0007","96.426","0.002","99.436","0.002","110.441","0.002","459.38","0.04","102","2","102","2","","","","","","","","4","P -1","-P 1","2","diazido 1-cyclopropyl-5H-tetrazolyl copper(II)","diazido 1-cyclopropyl-5H-tetrazolyl copper(II)","","- C4 H6 Cu N10 -","- C4 H6 Cu N10 -","- C8 H12 Cu2 N20 -","2","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","","0.71073","MoKα","","0.0209","0.019","","","0.0459","0.047","","","","","","1.044","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060635","15.1598","0.0014","6.2457","0.0003","10.8574","0.0005","90","","102.305","0.006","90","","1004.4","0.12","106","2","106","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diazido 1-cyclobutyl-5H-tetrazolyl copper(II)","diazido 1-cyclobutyl-5H-tetrazolyl copper(II)","","- C5 H8 Cu N10 -","- C5 H8 Cu N10 -","- C20 H32 Cu4 N40 -","4","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0687","0.045","","","0.0946","0.1066","","","","","","1.06","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060636","11.2105","0.0007","11.3324","0.0008","11.4691","0.0007","104.328","0.006","106.897","0.005","91.541","0.005","1343.09","0.16","113","2","113","2","","","","","","","","5","P -1","-P 1","2","P -1","triclinic","","- C32 H52 Cu2 N36 O14 -","- C32 H52 Cu2 N36 O14 -","- C32 H52 Cu2 N36 O14 -","1","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.047","0.0359","","","0.081","0.088","","","","","","1.031","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060637","10.7162","0.0004","11.9386","0.0006","15.5566","0.0007","68.044","0.004","79.661","0.004","77.005","0.004","1788.58","0.15","106","2","106","2","","","","","","","","6","P -1","-P 1","2","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate","","- C24 H44 Cl2 Mn N16 O10 -","- C24 H44 Cl2 Mn N16 O10 -","- C48 H88 Cl4 Mn2 N32 O20 -","2","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0768","0.0572","","","0.1349","0.1514","","","","","","1.031","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060638","10.9841","0.0004","11.8637","0.0005","15.0067","0.0009","112.565","0.005","90.518","0.004","96.245","0.003","1792.38","0.16","109","2","109","2","","","","","","","","6","P -1","-P 1","2","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate","","- C48 H86 Cl4 Fe2 N32 O20 -","- C48 H86 Cl4 Fe2 N32 O20 -","- C48 H86 Cl4 Fe2 N32 O20 -","1","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0916","0.0623","","","0.1482","0.1709","","","","","","1.037","","","","has coordinates,has disorder","267220","2021-07-05","18:05:56",""
"7060639","6.2935","0.0015","10.817","0.002","16.387","0.003","75.106","0.016","82.86","0.018","89.884","0.017","1069.2","0.4","112","2","112","2","","","","","","","","4","P -1","-P 1","2","1-cyclopropyl-5H-tetrazole copper(II) azide","diazido 1-cyclopropyl-5H-tetrazole copper(II)","","- C12 H20 Cu2 N20 -","- C12 H20 Cu2 N20 -","- C24 H40 Cu4 N40 -","2","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.1569","0.0778","","","0.1262","0.1643","","","","","","0.985","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060640","10.8393","0.0001","10.8393","0.0001","30.1945","0.0006","90","","90","","120","","3072.28","0.07","297","2","297","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)iron(II) diperchlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)iron(II) diperchlorate","","- C24 H36 Cl2 Fe N24 O8 -","- C24 H36 Cl2 Fe N24 O8 -","- C72 H108 Cl6 Fe3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","","0.71073","MoKα","","0.0686","0.0662","","","0.1651","0.1712","","","","","","1.159","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060641","18.604","0.005","5.0525","0.0012","11.244","0.003","90","","90","","90","","1056.9","0.5","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-phenylquinazolin","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","","Kumar, Gujjenahalli Ramalingaiah Yogesh; Begum, Noor Shahina","Mn(iii)-mediated cascade cyclization of 1-(azidomethyl)-2-isocyanoarenes with organoboronic acids: construction of quinazoline derivatives","New Journal of Chemistry","2021","45","22","9811","9817","10.1039/D1NJ01115D","","","0.71073","MoKα","","0.0503","0.0385","","","0.0994","0.1094","","","","","","1.029","","","","has coordinates","267209","2021-07-05","18:04:01",""
"7060642","22.0074","0.0002","12.597","0.0001","18.2478","0.0002","90","","98.381","0.001","90","","5004.76","0.08","99.98","0.14","99.98","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0377","0.0367","","","0.0981","0.099","","","","","","1.053","","","","has coordinates,has disorder","266139","2021-06-05","19:21:33",""
"7060643","22.0404","0.0002","12.6512","0.0001","18.3082","0.0001","90","","98.056","0.001","90","","5054.63","0.07","170.05","0.1","170.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0379","0.0365","","","0.0968","0.0979","","","","","","1.048","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060644","22.0143","0.0002","12.6048","0.0001","18.255","0.0002","90","","98.342","0.001","90","","5011.91","0.08","110.04","0.1","110.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0374","0.0364","","","0.0962","0.0971","","","","","","1.05","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060645","22.0261","0.0002","12.619","0.0001","18.2707","0.0002","90","","98.246","0.001","90","","5025.79","0.08","130.03","0.1","130.03","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0363","0.0351","","","0.0931","0.0939","","","","","","1.06","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060646","22.0352","0.0002","12.6354","0.0001","18.2873","0.0001","90","","98.146","0.001","90","","5040.24","0.07","150.05","0.1","150.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0376","0.0364","","","0.0967","0.0976","","","","","","1.046","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060647","22.0784","0.0001","12.691","0.0001","18.3485","0.0001","90","","97.774","0.001","90","","5093.94","0.06","210.04","0.1","210.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0432","0.0412","","","0.1119","0.1135","","","","","","1.046","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060648","22.059","0.0001","12.67","0.0001","18.3284","0.0001","90","","97.927","0.001","90","","5073.61","0.06","190.04","0.1","190.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0389","0.0374","","","0.0984","0.0996","","","","","","1.031","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060649","22.1453","0.0002","12.7427","0.0001","18.3743","0.0001","90","","97.298","0.001","90","","5143.06","0.07","250.04","0.1","250.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0553","0.0506","","","0.1399","0.1441","","","","","","1.055","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060650","22.1027","0.0001","12.7147","0.0001","18.364","0.0001","90","","97.579","0.001","90","","5115.74","0.06","230.04","0.1","230.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0477","0.0448","","","0.1233","0.1258","","","","","","1.047","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060651","22.696","0.0007","12.8357","0.0005","18.1558","0.0005","90","","94.635","0.003","90","","5271.8","0.3","290.05","0.1","290.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0913","0.0651","","","0.2036","0.2313","","","","","","1.057","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060652","22.6717","0.0005","12.8018","0.0004","18.1125","0.0004","90","","94.823","0.002","90","","5238.3","0.2","270.04","0.1","270.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0793","0.0582","","","0.1702","0.1895","","","","","","1.052","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060653","22.0631","0.0002","12.6447","0.0001","18.3556","0.0002","90","","97.857","0.001","90","","5072.8","0.08","190","0.1","190","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0259","0.024","","","0.0615","0.0625","","","","","","1.065","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060654","22.0819","0.0002","12.6642","0.0001","18.3777","0.0002","90","","97.712","0.001","90","","5092.83","0.08","210.05","0.1","210.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0299","0.027","","","0.0693","0.0711","","","","","","1.045","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060655","22.1376","0.0003","12.7162","0.0002","18.4036","0.0002","90","","97.298","0.001","90","","5138.76","0.12","250.06","0.1","250.06","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0428","0.0372","","","0.0953","0.0998","","","","","","1.057","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060656","22.1074","0.0002","12.6883","0.0002","18.3944","0.0002","90","","97.532","0.001","90","","5115.21","0.11","230.06","0.1","230.06","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0339","0.0304","","","0.0761","0.0782","","","","","","1.071","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060657","22.6955","0.0004","12.7839","0.0003","18.1157","0.0003","90","","94.668","0.002","90","","5238.6","0.18","270.07","0.11","270.07","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Ag F3 N2 O3 S -","- C27 H21 Ag F3 N2 O3 S -","- C216 H168 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0775","0.0502","","","0.1432","0.1628","","","","","","1.06","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060658","22.6895","0.0005","12.8292","0.0004","18.1655","0.0003","90","","94.599","0.002","90","","5270.7","0.2","290.06","0.11","290.06","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Ag F3 N2 O3 S -","- C27 H21 Ag F3 N2 O3 S -","- C216 H168 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0939","0.0558","","","0.177","0.2108","","","","","","1.054","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060659","10.0155","0.0002","10.9223","0.0002","20.2357","0.0003","100.436","0.001","104.283","0.001","99.455","0.002","2058.38","0.07","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C41 H59 Au N2 O10 S -","- C41 H59 Au N2 O10 S -","- C82 H118 Au2 N4 O20 S2 -","2","2","","Safir Filho, Mauro; Scattolin, Thomas; Dao, Pascal; Tzouras, Nikolaos V.; Benhida, Rachid; Saab, Marina; Van Hecke, Kristof; Lippmann, Petra; Martin, Anthony R.; Ott, Ingo; Nolan, Steven P.","Straightforward synthetic route to gold(i)-thiolato glycoconjugate complexes bearing NHC ligands (NHC = N-heterocyclic carbene) and their promising anticancer activity","New Journal of Chemistry","2021","45","22","9995","10001","10.1039/D1NJ02117F","","x-ray","0.71073","MoKα","","0.0338","0.0295","","","0.0592","0.0615","","","","","","1.022","","","","has coordinates,has disorder","267213","2021-07-05","18:04:23",""
"7060660","13.0105","0.0006","11.6307","0.0005","21.7397","0.0009","90","","90","","90","","3289.7","0.2","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl4 N2 Ni2 O4 -","- C32 H34 Cl4 N2 Ni2 O4 -","- C128 H136 Cl16 N8 Ni8 O16 -","4","0.5","","Hu, Miao; Jiang, Yong; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan; Jin, Liqun","Nickel-catalyzed C3-alkylation of indoles with alcohols via a borrowing hydrogen strategy","New Journal of Chemistry","2021","45","22","10057","10062","10.1039/D1NJ01581H","","","0.71073","MoKα","","0.0501","0.0318","","","0.0676","0.0762","","","","","","1.033","","","","has coordinates,has disorder","267212","2021-07-05","18:04:17",""
"7060661","16.9127","0.0006","9.2788","0.0003","23.5436","0.0008","90","","91.766","0.002","90","","3692.9","0.2","130","","130","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","POCOP-Ni-bipy","","- C32 H47 F6 N2 Ni O3 P2 Sb -","- C32 H47 F6 N2 Ni O3 P2 Sb -","- C128 H188 F24 N8 Ni4 O12 P8 Sb4 -","4","1","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.34139","GaKα","","0.0559","0.0439","","","0.1069","0.1133","","","","","","1.055","","","","has coordinates,has disorder","268878","2021-09-06","12:06:33",""
"7060662","18.3475","0.0005","12.6233","0.0004","24.3404","0.0006","90","","98.015","0.001","90","","5582.3","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","POCN-Ni-bipy*-Ni-POCN","","- C48 H70 F12 N4 Ni2 O5 P2 Sb2 -","- C48 H70 F12 N4 Ni2 O5 P2 Sb2 -","- C192 H280 F48 N16 Ni8 O20 P8 Sb8 -","4","1","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.54178","CuKα","","0.0432","0.0368","","","0.0939","0.0982","","","","","","1.037","","","","has coordinates","268878","2021-09-06","12:06:33",""
"7060663","17.2593","0.0015","13.5102","0.0012","29.393","0.003","90","","93.58","0.005","90","","6840.4","1.1","130","","130","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Cl2 F6 N3 Ni O2 P Sb -","- C30 H37 Cl2 F6 N3 Ni O2 P Sb -","- C240 H296 Cl16 F48 N24 Ni8 O16 P8 Sb8 -","8","2","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.34139","GaKα","","0.0654","0.0575","","","0.1513","0.1575","","","","","","1.066","","","","has coordinates,has disorder","268878","2021-09-06","12:06:33",""
"7060664","14.5548","0.0007","15.2342","0.0007","14.8051","0.0008","90","","95.07","0.003","90","","3269.9","0.3","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C27.69 H36.38 Cl1.38 F6 N3 Ni O2 P Sb -","- C27.69 H36.38 Cl1.38 F6 N3 Ni O2 P Sb -","- C110.76 H145.52 Cl5.52 F24 N12 Ni4 O8 P4 Sb4 -","4","1","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.54178","CuKα","","0.0877","0.0856","","","0.1873","0.1882","","","","","","1.211","","","","has coordinates,has disorder","268878","2021-09-06","12:06:33",""
"7060665","12.6698","0.0006","13.6736","0.0006","20.1046","0.0009","104.063","0.002","100.134","0.002","90.206","0.002","3321.9","0.3","100","","100","","","","","","","","","8","P 1","P 1","1","","POCOP-Ni-phen","","- C30 H39 F6 N2 Ni O2 P2 Sb -","- C30 H39 F6 N2 Ni O2 P2 Sb -","- C120 H156 F24 N8 Ni4 O8 P8 Sb4 -","4","4","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.54178","CuKα","","0.0323","0.0321","","","0.0893","0.0896","","","","","","1.043","","","","has coordinates","268878","2021-09-06","12:06:33",""
"7060666","17.1313","0.0009","8.0007","0.0004","17.8969","0.0009","90","","94.072","0.002","90","","2446.8","0.2","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19 H30 F6 N2 Ni O2 P Sb -","- C19 H30 F6 N2 Ni O2 P Sb -","- C76 H120 F24 N8 Ni4 O8 P4 Sb4 -","4","1","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.54178","CuKα","","0.0229","0.0229","","","0.0599","0.0602","","","","","","1.122","","","","has coordinates","268878","2021-09-06","12:06:33",""
"7060667","12.2664","0.0003","13.2418","0.0003","17.527","0.0005","68.383","0.001","85.94","0.001","87.02","0.001","2638.99","0.12","120","","120","","","","","","","","","8","P -1","-P 1","2","","POCN-Ni-py","","- C22 H32 F6 N2 Ni O2 P Sb -","- C22 H32 F6 N2 Ni O2 P Sb -","- C88 H128 F24 N8 Ni4 O8 P4 Sb4 -","4","2","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.34139","GaKα","","0.041","0.04","","","0.1056","0.1071","","","","","","1.07","","","","has coordinates","268878","2021-09-06","12:06:33",""
"7060668","8.6586","0.0003","26.4721","0.0007","14.4377","0.0004","90","","107.032","0.002","90","","3164.14","0.17","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 F6 N Ni O2 P2 Sb -","- C23 H36 F6 N Ni O2 P2 Sb -","- C92 H144 F24 N4 Ni4 O8 P8 Sb4 -","4","1","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.34139","GaKα","","0.0427","0.041","","","0.0999","0.1009","","","","","","1.133","","","","has coordinates","268878","2021-09-06","12:06:33",""
"7060669","9.7016","0.0001","18.3583","0.0001","25.5187","0.0002","90","","99.669","0.001","90","","4480.44","0.06","102","3","102","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LInCl2 (Dipp)","","- C43 H67 Cl2 In N3 P2 -","- C43 H67 Cl2 In N3 P2 -","- C172 H268 Cl8 In4 N12 P8 -","4","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0342","0.0295","","","0.0727","0.0749","","","","","","1.084","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060670","18.1046","0.0003","8.3016","0.0001","26.1934","0.0004","90","","90","","90","","3936.79","0.1","100","0.2","100","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H65 N3 P2 -","- C40 H65 N3 P2 -","- C160 H260 N12 P8 -","4","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0435","0.0358","","","0.089","0.0929","","","","","","1.064","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060671","16.3379","0.0002","23.992","0.0002","20.6103","0.0002","90","","112.995","0.001","90","","7436.85","0.14","100","0.4","100","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LInCl2 (Ar = Pipp)","","- C34 H52 Cl2 In N3 P2 -","- C34 H52 Cl2 In N3 P2 -","- C272 H416 Cl16 In8 N24 P16 -","8","2","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0461","0.0422","","","0.1134","0.1163","","","","","","1.04","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060672","11.6933","0.0002","22.3999","0.0003","14.5398","0.0002","90","","97.596","0.001","90","","3774.97","0.1","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","LMes","","- C40 H59 N3 P2 -","- C40 H59 N3 P2 -","- C160 H236 N12 P8 -","4","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0596","0.0485","","","0.1276","0.1368","","","","","","1.059","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060673","8.5179","0.0004","14.3557","0.0004","16.0481","0.0004","66.419","0.002","82.147","0.003","77.448","0.003","1752.81","0.11","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","LAlMe2 (Ar = Mes)","","- C36 H58 Al N3 P2 -","- C36 H58 Al N3 P2 -","- C72 H116 Al2 N6 P4 -","2","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0728","0.0602","","","0.1848","0.2036","","","","","","1.053","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060674","9.2843","0.0001","19.1068","0.0003","20.8295","0.0003","90","","92.334","0.001","90","","3691.95","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LInCl2 (Mes)","","- C34 H52 Cl2 In N3 P2 -","- C34 H52 Cl2 In N3 P2 -","- C136 H208 Cl8 In4 N12 P8 -","4","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","","1.54184","CuKα","","0.0369","0.0326","","","0.0875","0.0897","","","","","","1.065","","","","has coordinates,has disorder","268872","2021-09-06","12:05:11",""
"7060675","16.246","0.0002","24.0391","0.0002","20.6349","0.0003","90","","112.981","0.001","90","","7419.15","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","LAlMe2 (Pipp)","","- C36 H58 Al N3 P2 -","- C36 H58 Al N3 P2 -","- C288 H464 Al8 N24 P16 -","8","2","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0478","0.0391","","","0.1002","0.132","","","","","","1.17","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060676","9.5009","0.0001","18.3494","0.0001","25.5029","0.0002","90","","99.429","0.001","90","","4386","0.06","100.01","0.13","100.01","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LGaCl2 (Dipp)","","- C43 H67 Cl2 Ga N3 P2 -","- C43 H67 Cl2 Ga N3 P2 -","- C172 H268 Cl8 Ga4 N12 P8 -","4","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0323","0.0295","","","0.0754","0.0776","","","","","","1.066","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060677","11.0196","0.0013","11.0526","0.0014","13.9779","0.0017","80.698","0.002","84.378","0.002","75.812","0.002","1625.8","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 N O11 S Ti2 -","- C24 H44 N O11 S Ti2 -","- C48 H88 N2 O22 S2 Ti4 -","2","1","","Mou, Wen-Yu; Xie, Bin; Li, Xiao-Long; Lai, Chuan; Li, Tao; Chen, Luo; Feng, Jian-Shen; Bai, Xiao-Xue; Wu, Yu; Wu, Wei-Ping; Zhang, Dong-Liang; Gu, Yun-Tian","Tartrate-stabilized titanium‒oxo clusters containing sulfonate chromophore ligands: synthesis, crystal structures and photochemical properties","New Journal of Chemistry","2021","45","24","10930","10939","10.1039/D1NJ01540K","","","0.71073","MoKα","","0.1374","0.0665","","","0.1356","0.1603","","","","","","0.952","","","","has coordinates","267207","2021-07-05","18:03:48",""
"7060678","20.766","0.0003","13.94118","0.00018","24.7923","0.0003","90","","90","","90","","7177.43","0.16","250","0.1","250","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H90 O26 P2 Ti6 -","- C56 H90 O26 P2 Ti6 -","- C224 H360 O104 P8 Ti24 -","4","0.5","","Mou, Wen-Yu; Xie, Bin; Li, Xiao-Long; Lai, Chuan; Li, Tao; Chen, Luo; Feng, Jian-Shen; Bai, Xiao-Xue; Wu, Yu; Wu, Wei-Ping; Zhang, Dong-Liang; Gu, Yun-Tian","Tartrate-stabilized titanium‒oxo clusters containing sulfonate chromophore ligands: synthesis, crystal structures and photochemical properties","New Journal of Chemistry","2021","45","24","10930","10939","10.1039/D1NJ01540K","","x-ray","1.54184","CuKα","","0.0764","0.0641","","","0.1786","0.1956","","","","","","1.036","","","","has coordinates,has disorder","267207","2021-07-05","18:03:48",""
"7060679","31.1547","0.0013","31.1547","0.0013","14.2193","0.0007","90","","90","","120","","11952.4","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C25 H35 Cl2 N3 O Ru -","- C25 H35 Cl2 N3 O Ru -","- C450 H630 Cl36 N54 O18 Ru18 -","18","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0878","0.0542","","","0.1138","0.1267","","","","","","1.04","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060680","13.5366","0.0007","13.6516","0.0007","16.3238","0.0009","90","","107.046","0.004","90","","2884.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl2 N2 Ru -","- C32 H34 Cl2 N2 Ru -","- C128 H136 Cl8 N8 Ru4 -","4","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0602","0.0357","","","0.0683","0.0735","","","","","","0.931","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060681","30.0916","0.0015","30.0916","0.0015","13.669","0.0007","90","","90","","120","","10719.1","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H28 Cl2 N2 O2 Ru -","- C21 H28 Cl2 N2 O2 Ru -","- C378 H504 Cl36 N36 O36 Ru18 -","18","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0769","0.0385","","","0.0667","0.0752","","","","","","0.926","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060682","13.4953","0.0007","13.5037","0.0006","15.368","0.0009","90","","103.766","0.004","90","","2720.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl2 N2 Ru -","- C30 H30 Cl2 N2 Ru -","- C120 H120 Cl8 N8 Ru4 -","4","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0572","0.0362","","","0.0682","0.0734","","","","","","1.01","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060683","30.6323","0.0009","30.6323","0.0009","14.2515","0.0004","90","","90","","120","","11581.1","0.6","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C23 H32 Cl2 N2 O2 Ru -","- C23 H32 Cl2 N2 O2 Ru -","- C414 H576 Cl36 N36 O36 Ru18 -","18","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0583","0.0376","","","0.0831","0.0895","","","","","","1.017","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060684","19.2398","0.0013","8.8918","0.0006","18.0426","0.0009","90","","116.868","0.002","90","","2753.5","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 N3 -","- C38 H27 N3 -","- C152 H108 N12 -","4","1","","Ge, Yuxi; Huang, Bin","Light-emitting analogues based on triphenylamine modified quinoxaline and pyridine[2,3-b]pyrazine exhibiting different mechanochromic luminescence","New Journal of Chemistry","2021","45","25","11304","11312","10.1039/D1NJ01350E","","","0.71073","MoKα","","0.0971","0.0492","","","0.1037","0.1278","","","","","","1.027","","","","has coordinates","267222","2021-07-05","18:06:12",""
"7060685","18.92","0.011","8.897","0.007","17.812","0.01","90","","116.82","0.02","90","","2676","3","193","","193","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 N4 -","- C37 H26 N4 -","- C148 H104 N16 -","4","1","","Ge, Yuxi; Huang, Bin","Light-emitting analogues based on triphenylamine modified quinoxaline and pyridine[2,3-b]pyrazine exhibiting different mechanochromic luminescence","New Journal of Chemistry","2021","45","25","11304","11312","10.1039/D1NJ01350E","","","0.71073","MoKα","","0.1518","0.0794","","","0.2049","0.2763","","","","","","1.043","","","","has coordinates","267222","2021-07-05","18:06:12",""
"7060686","19.2475","0.0018","8.936","0.0008","18.0898","0.0019","90","","117.001","0.003","90","","2772.2","0.5","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 N3 -","- C38 H27 N3 -","- C152 H108 N12 -","4","1","","Ge, Yuxi; Huang, Bin","Light-emitting analogues based on triphenylamine modified quinoxaline and pyridine[2,3-b]pyrazine exhibiting different mechanochromic luminescence","New Journal of Chemistry","2021","45","25","11304","11312","10.1039/D1NJ01350E","","","0.71073","MoKα","","0.0921","0.0528","","","0.1179","0.137","","","","","","1.022","","","","has coordinates","267222","2021-07-05","18:06:12",""
"7060687","19.065","0.014","8.994","0.007","17.864","0.014","90","","116.751","0.013","90","","2735","4","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 N4 -","- C37 H26 N4 -","- C148 H104 N16 -","4","1","","Ge, Yuxi; Huang, Bin","Light-emitting analogues based on triphenylamine modified quinoxaline and pyridine[2,3-b]pyrazine exhibiting different mechanochromic luminescence","New Journal of Chemistry","2021","45","25","11304","11312","10.1039/D1NJ01350E","","","0.71073","MoKα","","0.1393","0.0591","","","0.1389","0.1814","","","","","","0.97","","","","has coordinates","267222","2021-07-05","18:06:12",""
"7060688","9.7194","0.0009","8.3786","0.0007","17.7045","0.0015","90","","95.021","0.003","90","","1436.2","0.2","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 N6 O10 Sr -","- C6 H12 N6 O10 Sr -","- C24 H48 N24 O40 Sr4 -","4","0.5","","Huang, Yao; Peng, Rufang; Jin, Bo","An efficient strontium-based combustion inhibitor of ammonium perchlorate with a 2D-MOF structure","New Journal of Chemistry","2021","45","25","11068","11074","10.1039/D0NJ06239A","","","0.71073","MoKα","","0.0238","0.0216","","","0.0496","0.0502","","","","","","1.152","","","","has coordinates","267216","2021-07-05","18:04:59",""
"7060689","9.177","0.004","12.753","0.005","11.653","0.004","90","","123.03","0.02","90","","1143.4","0.8","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C29 H18 F N3 O2 -","- C29 H18 F N3 O2 -","- C58 H36 F2 N6 O4 -","2","1","","Yadav, Rahul; Parvin, Tasneem","Multicomponent synthesis of styryl linked benzo[h]pyrazolo[3,4-b]quinoline-5,6(10H)-diones by liquid assisted grinding","New Journal of Chemistry","2021","45","23","10388","10395","10.1039/D1NJ00770J","","","0.71073","MoKα","","0.2444","0.0817","","","0.1479","0.2121","","","","","","1.026","","","","has coordinates","267225","2021-07-05","18:06:39",""
"7060690","10.6575","0.0007","10.8837","0.0007","11.685","0.0008","110.376","0.002","102.926","0.002","108.235","0.002","1119.38","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18 Br N3 O2 -","- C29 H18 Br N3 O2 -","- C58 H36 Br2 N6 O4 -","2","1","","Yadav, Rahul; Parvin, Tasneem","Multicomponent synthesis of styryl linked benzo[h]pyrazolo[3,4-b]quinoline-5,6(10H)-diones by liquid assisted grinding","New Journal of Chemistry","2021","45","23","10388","10395","10.1039/D1NJ00770J","","","0.71073","MoKα","","0.15","0.057","","","0.0735","0.0932","","","","","","1.01","","","","has coordinates","267225","2021-07-05","18:06:39",""
"7060691","25.378","0.003","10.2854","0.0012","21.374","0.003","90","","110.16","0.001","90","","5237.3","1.1","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H30.5 Cl N P Pd -","- C29.5 H30.5 Cl N P Pd -","- C236 H244 Cl8 N8 P8 Pd8 -","8","1","","Saha, Debajyoti; Sepay, Nayim","Fluxional chloro-pyrrole‒Pd(ii) complex to cationic η2-pyrrole‒Pd(ii) complex: subtlety in structure-directed bonding mode","New Journal of Chemistry","2021","45","24","10594","10598","10.1039/D1NJ00866H","","","0.71073","MoKα","","0.0531","0.0358","","","0.0862","0.096","","","","","","1.027","","","","has coordinates,has disorder","267208","2021-07-05","18:03:55",""
"7060692","8.9132","0.0008","11.1285","0.001","14.9029","0.0014","89.114","0.002","75.267","0.002","81.91","0.002","1415.1","0.2","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H27 F6.18 N P Pd Sb -","- C27 H27 F6.173 N P Pd Sb -","- C54 H54 F12.346 N2 P2 Pd2 Sb2 -","2","1","","Saha, Debajyoti; Sepay, Nayim","Fluxional chloro-pyrrole‒Pd(ii) complex to cationic η2-pyrrole‒Pd(ii) complex: subtlety in structure-directed bonding mode","New Journal of Chemistry","2021","45","24","10594","10598","10.1039/D1NJ00866H","","","0.71073","MoKα","","0.0381","0.0294","","","0.0731","0.0777","","","","","","1.04","","","","has coordinates,has disorder","267208","2021-07-05","18:03:55",""
"7060693","9.9944","0.0011","16.6828","0.0018","16.8624","0.0018","117.285","0.003","92.754","0.004","90.642","0.004","2494.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","2","","Ding, Ran; Fu, Jian-Ming; Tian, Hai-Yu; Chen, Nian-Shou; Liu, Lei; Guo, Yu; Wang, Pei-Long","Sulfonyl radical-induced regioselective cyclization of 3-aza-1,5-enynes with sulfonyl chlorides to produce 1,2-dihydropyridines by copper catalysis","New Journal of Chemistry","2021","45","25","11030","11034","10.1039/D1NJ01821C","","","0.71073","MoKα","","0.1188","0.0743","","","0.1941","0.2195","","","","","","1.024","","","","has coordinates","267221","2021-07-05","18:06:03",""
"7060694","8.2548","0.0013","10.453","0.0017","13.508","0.002","93.199","0.005","99.554","0.004","106.901","0.004","1093.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 N10 O4 -","- C5 H6 N10 O4 -","- C20 H24 N40 O16 -","4","2","","Yang, Rui; Liu, Yifei; Dong, Zhen; Li, Haiyan; Ye, Zhiwen","3-R-4-(5-Methyleneazide-1,2,4-oxadiazol-3-yl)furazan and its ionic salts as low-sensitivity and high-detonation energetic materials","New Journal of Chemistry","2021","45","25","11380","11389","10.1039/D1NJ01099A","","","0.71073","MoKα","","0.1521","0.0688","","","0.1551","0.1897","","","","","","1.016","","","","has coordinates","267218","2021-07-05","18:05:23",""
"7060695","19.831","0.002","5.3577","0.0005","7.8562","0.0009","90","","90","","90","","834.71","0.15","293","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H4 N8 O2 -","- C5 H4 N8 O2 -","- C20 H16 N32 O8 -","4","1","","Yang, Rui; Liu, Yifei; Dong, Zhen; Li, Haiyan; Ye, Zhiwen","3-R-4-(5-Methyleneazide-1,2,4-oxadiazol-3-yl)furazan and its ionic salts as low-sensitivity and high-detonation energetic materials","New Journal of Chemistry","2021","45","25","11380","11389","10.1039/D1NJ01099A","","","0.71073","MoKα","","0.0796","0.0503","","","0.1122","0.1215","","","","","","1.079","","","","has coordinates","267218","2021-07-05","18:05:23",""
"7060696","15.3065","0.0006","13.8547","0.0005","15.6247","0.0006","90","","94.198","0.002","90","","3304.6","0.2","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 Cl2 F3 N3 O4 P Ru -","- C30 H35 Cl2 F3 N3 O4 P Ru -","- C120 H140 Cl8 F12 N12 O16 P4 Ru4 -","4","1","","Hkiri, Shaima; Gourlaouen, Christophe; Touil, Soufiane; Samarat, Ali; Sémeril, David","1,3,4-Oxadiazole-functionalized α-amino-phosphonates as ligands for the ruthenium-catalyzed reduction of ketones","New Journal of Chemistry","2021","45","25","11327","11335","10.1039/D1NJ01861B","","","0.71073","MoKα","","0.0326","0.0282","","","0.0662","0.0692","","","","","","1.048","","","","has coordinates","267219","2021-07-05","18:05:30",""
"7060697","8.8977","0.0011","12.5369","0.0014","19.514","0.002","90.816","0.004","94.235","0.004","103.384","0.004","2110.8","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N3 O5 P -","- C20 H24 N3 O5 P -","- C80 H96 N12 O20 P4 -","4","2","","Hkiri, Shaima; Gourlaouen, Christophe; Touil, Soufiane; Samarat, Ali; Sémeril, David","1,3,4-Oxadiazole-functionalized α-amino-phosphonates as ligands for the ruthenium-catalyzed reduction of ketones","New Journal of Chemistry","2021","45","25","11327","11335","10.1039/D1NJ01861B","","","0.71073","MoKα","","0.1022","0.0823","","","0.2225","0.2412","","","","","","1.036","","","","has coordinates","267219","2021-07-05","18:05:31",""
"7060698","11.2342","0.0006","17.0441","0.001","16.4074","0.0008","90","","92.713","0.002","90","","3138.1","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Cl2 N3 O5 P Ru -","- C30 H38 Cl2 N3 O5 P Ru -","- C120 H152 Cl8 N12 O20 P4 Ru4 -","4","1","","Hkiri, Shaima; Gourlaouen, Christophe; Touil, Soufiane; Samarat, Ali; Sémeril, David","1,3,4-Oxadiazole-functionalized α-amino-phosphonates as ligands for the ruthenium-catalyzed reduction of ketones","New Journal of Chemistry","2021","45","25","11327","11335","10.1039/D1NJ01861B","","","0.71073","MoKα","","0.0485","0.0417","","","0.0904","0.0948","","","","","","1.075","","","","has coordinates,has disorder","267219","2021-07-05","18:05:31",""
"7060699","8.6861","0.0014","21.538","0.003","13.065","0.002","90","","109.378","0.005","90","","2305.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br N3 O3 -","- C26 H20 Br N3 O3 -","- C104 H80 Br4 N12 O12 -","4","1","","Yue, Guizhou; Jiang, Dan; Dou, Zhengjie; Li, Sicheng; Feng, Juhua; Zhang, Li; Chen, Huabao; Yang, Chunping; Yin, Zhongqiong; Song, Xu; Liang, Xiaoxia; Wang, Xianxiang; Lu, Cuifen","Rapid umpolung Michael addition of isatin N,N′-cyclic azomethine imine 1,3-dipoles with chalcones","New Journal of Chemistry","2021","45","26","11712","11718","10.1039/D1NJ00960E","","","0.71073","MoKα","","0.0786","0.0547","","","0.1274","0.1412","","","","","","1.03","","","","has coordinates","268880","2021-09-06","12:07:24",""
"7060700","8.1785","0.0014","25.516","0.004","12.111","0.002","90","","90","","90","","2527.4","0.7","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H21 Br N2 O3 -","- C27 H21 Br N2 O3 -","- C108 H84 Br4 N8 O12 -","4","1","","Yue, Guizhou; Jiang, Dan; Dou, Zhengjie; Li, Sicheng; Feng, Juhua; Zhang, Li; Chen, Huabao; Yang, Chunping; Yin, Zhongqiong; Song, Xu; Liang, Xiaoxia; Wang, Xianxiang; Lu, Cuifen","Rapid umpolung Michael addition of isatin N,N′-cyclic azomethine imine 1,3-dipoles with chalcones","New Journal of Chemistry","2021","45","26","11712","11718","10.1039/D1NJ00960E","","","0.71073","MoKα","","0.114","0.0776","","","0.2335","0.2613","","","","","","1.085","","","","has coordinates","268880","2021-09-06","12:07:24",""
"7060704","9.8884","0.0004","10.9455","0.0005","12.6252","0.0005","90","","91.519","0.004","90","","1365.99","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N5 S -","- C13 H15 N5 S -","- C52 H60 N20 S4 -","4","1","","Grytsai, Oleksandr; Gonçalves, Leticia Christina Pires; Bardovskyi, Rostyslav; Hamouda-Tekaya, Nedra; Rocchi, Stéphane; Ronco, Cyril; Benhida, Rachid","Arylbiamidines: synthesis and structural studies en route to anticancer applications","New Journal of Chemistry","2021","45","27","11893","11897","10.1039/D1NJ01943K","","x-ray","1.54184","CuKα","","0.0618","0.0436","","","0.1128","0.1294","","","","","","1.025","","","","has coordinates","268860","2021-09-06","12:01:41",""
"7060705","12.5147","0.001","14.4871","0.0013","13.4749","0.0011","90","","107.825","0.002","90","","2325.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl3 N6 Ni O4 -","- C18 H21 Cl3 N6 Ni O4 -","- C72 H84 Cl12 N24 Ni4 O16 -","4","1","","Pal, Pampi; Das, Kinsuk; Hossain, Anowar; Gomila, Rosa M.; Frontera, Antonio; Mukhopadhyay, Subrata","Synthesis and crystal structure of the simultaneous binding of Ni(ii) cation and chloride by the protonated 2,4,6 tris-(2-pyridyl)-1,3,5 triazine ligand: theoretical investigations of anion⋯π, π⋯π and hydrogen bonding interactions","New Journal of Chemistry","2021","45","26","11689","11696","10.1039/D1NJ01880A","","","0.71073","MoKα","","0.0315","0.0246","","","0.0549","0.0591","","","","","","1.049","","","","has coordinates","268881","2021-09-06","12:07:31",""
"7060706","16.793","0.003","9.9261","0.0018","19.198","0.004","90","","90","","90","","3200.1","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl N3 Ni O2 -","- C15 H20 Cl N3 Ni O2 -","- C120 H160 Cl8 N24 Ni8 O16 -","8","1","","Jagtap, Rahul A.; Ankade, Shidheshwar B.; Gonnade, Rajesh G.; Punji, Benudhar","Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones","New Journal of Chemistry","2021","45","27","11927","11936","10.1039/D1NJ01698A","","","0.71073","MoKα","","0.0272","0.0231","","","0.0552","0.0575","","","","","","1.028","","","","has coordinates","268858","2021-09-06","12:01:17",""
"7060707","9.9695","0.0004","10.0137","0.0003","21.4431","0.0007","90","","90","","90","","2140.7","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl N3 Ni O2 -","- C22 H26 Cl N3 Ni O2 -","- C88 H104 Cl4 N12 Ni4 O8 -","4","1","","Jagtap, Rahul A.; Ankade, Shidheshwar B.; Gonnade, Rajesh G.; Punji, Benudhar","Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones","New Journal of Chemistry","2021","45","27","11927","11936","10.1039/D1NJ01698A","","","0.71073","MoKα","","0.0338","0.0264","","","0.0557","0.0585","","","","","","1.036","","","","has coordinates","268858","2021-09-06","12:01:18",""
"7060708","9.7315","0.0003","9.8437","0.0003","21.184","0.0007","90","","90","","90","","2029.3","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 Cl N3 Ni O2 -","- C19 H28 Cl N3 Ni O2 -","- C76 H112 Cl4 N12 Ni4 O8 -","4","1","","Jagtap, Rahul A.; Ankade, Shidheshwar B.; Gonnade, Rajesh G.; Punji, Benudhar","Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones","New Journal of Chemistry","2021","45","27","11927","11936","10.1039/D1NJ01698A","","","0.71073","MoKα","","0.0193","0.0187","","","0.0481","0.0483","","","","","","1.03","","","","has coordinates,has disorder","268858","2021-09-06","12:01:18",""
"7060709","10.2904","0.0005","21.3262","0.0009","15.8441","0.0007","90","","93.987","0.002","90","","3468.7","0.3","273","2","273.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68.71 H75.43 Br2 Cu4 N4 O14 -","- C68.712 H75.424 Br2 Cu4 N4 O14 -","- C137.424 H150.848 Br4 Cu8 N8 O28 -","2","1","","Liu, Meiying; Liang, Jingjing; Liu, Zhiliang","Modulating the ferroelectric performance by altering halogen anions in the crystals of tetranuclear copper-clusters","New Journal of Chemistry","2021","45","27","12091","12096","10.1039/D1NJ01894A","","","0.71073","MoKα","","0.0408","0.0307","","","0.0681","0.0723","","","","","","1.072","","","","has coordinates,has disorder","268851","2021-09-06","11:59:55",""
"7060710","10.4998","0.0019","25.108","0.005","15.766","0.003","90","","109.173","0.005","90","","3925.8","1.3","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H76 Cl2 Cu4 N4 O14 -","- C70 H76 Cl2 Cu4 N4 O14 -","- C140 H152 Cl4 Cu8 N8 O28 -","2","1","","Liu, Meiying; Liang, Jingjing; Liu, Zhiliang","Modulating the ferroelectric performance by altering halogen anions in the crystals of tetranuclear copper-clusters","New Journal of Chemistry","2021","45","27","12091","12096","10.1039/D1NJ01894A","","","0.71073","MoKα","","0.1177","0.1099","","","0.2856","0.2966","","","","","","1.067","","","","has coordinates","268851","2021-09-06","11:59:56",""
"7060711","15.6822","0.0014","15.7587","0.0014","19.2295","0.0017","90","","100.549","0.003","90","","4671.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 N10 O9 Zn3 -","- C44 H54 N10 O9 Zn3 -","- C176 H216 N40 O36 Zn12 -","4","0.5","","Ghosh, Mrinmoy; Biswas, Samik; Roy, Moumita; Biswas, Saptarshi; Ghosh, Pameli; Koner, Subratanath; Mandal, Supratim; Saha, Sandip","A trinuclear Zn(ii) Schiff base azido compound: synthesis, structure and exploration of antimicrobial activity","New Journal of Chemistry","2021","45","27","12296","12304","10.1039/D1NJ00468A","","","0.71073","MoKα","","0.0316","0.0248","","","0.0629","0.0684","","","","","","1.068","","","","has coordinates,has disorder","268855","2021-09-06","12:00:29",""
"7060712","19.5053","0.0001","19.5053","0.0001","7.9076","0.0001","90","","90","","120","","2605.44","0.04","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C17 H9 F9 N2 O -","- C17 H9 F9 N2 O -","- C102 H54 F54 N12 O6 -","6","1","","Accorsi, Gianluca; Capodilupo, Agostina-Lina; Claramunt, Rosa María; Clarkson, Guy J.; Farrán, A.; Gatti, Francesco G.; León, Salvador; Venturi, Silvia","Studies of novel trifluoroacetylated diaryl hydrazone molecular photoswitches in solution and in the solid state","New Journal of Chemistry","2021","45","28","12471","12478","10.1039/D1NJ01677F","","x-ray","1.54184","CuKα","","0.0343","0.0332","","","0.09","0.091","","","","","","1.054","","","","has coordinates","268841","2021-09-06","11:58:40",""
"7060713","12.5454","0.0002","8.1267","0.00015","15.8452","0.0002","90","","108.614","0.0017","90","","1530.96","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F3 N2 O -","- C17 H15 F3 N2 O -","- C68 H60 F12 N8 O4 -","4","1","","Accorsi, Gianluca; Capodilupo, Agostina-Lina; Claramunt, Rosa María; Clarkson, Guy J.; Farrán, A.; Gatti, Francesco G.; León, Salvador; Venturi, Silvia","Studies of novel trifluoroacetylated diaryl hydrazone molecular photoswitches in solution and in the solid state","New Journal of Chemistry","2021","45","28","12471","12478","10.1039/D1NJ01677F","","x-ray","1.54184","CuKα","","0.0407","0.0387","","","0.1018","0.1042","","","","","","1.033","","","","has coordinates","268841","2021-09-06","11:58:40",""
"7060714","8.14933","0.00008","10.51816","0.00009","36.3202","0.0003","90","","90","","90","","3113.22","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F3 N2 O -","- C17 H15 F3 N2 O -","- C136 H120 F24 N16 O8 -","8","2","","Accorsi, Gianluca; Capodilupo, Agostina-Lina; Claramunt, Rosa María; Clarkson, Guy J.; Farrán, A.; Gatti, Francesco G.; León, Salvador; Venturi, Silvia","Studies of novel trifluoroacetylated diaryl hydrazone molecular photoswitches in solution and in the solid state","New Journal of Chemistry","2021","45","28","12471","12478","10.1039/D1NJ01677F","","x-ray","1.54184","CuKα","","0.0278","0.0267","","","0.0688","0.0697","","","","","","1.054","","","","has coordinates","268841","2021-09-06","11:58:41",""
"7060715","10.1879","0.0003","10.2669","0.0003","13.3549","0.0004","103.929","0.003","110.726","0.003","100.441","0.002","1212.24","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H28 Cl2 F N6 O P3 -","- C16 H28 Cl2 F N6 O P3 -","- C32 H56 Cl4 F2 N12 O2 P6 -","2","1","","Mutlu, Ömer Faruk; Binici, Arzu; Okumuş, Aytuğ; Elmas, Gamze; Çoşut, Bünyemin; Kılıç, Zeynel; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 54. syntheses of chiral amino-4-fluorobenzyl-spiro(N/O)cyclotriphosphazenes: structural and stereogenic properties","New Journal of Chemistry","2021","45","27","12178","12192","10.1039/D1NJ00934F","","","0.71073","MoKα","","0.0652","0.0539","","","0.1412","0.1508","","","","","","1.055","","","","has coordinates","268854","2021-09-06","12:00:22",""
"7060716","14.8749","0.0002","22.8089","0.0002","10.34","0.0001","90","","90","","90","","3508.16","0.07","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C36 H42 I2 N4 Zn -","- C36 H42 I2 N4 Zn -","- C144 H168 I8 N16 Zn4 -","4","0.5","","Caruso, Manfredi; Cametti, Massimo; Rissanen, Kari; Martí-Rujas, Javier","Selective guest inclusion of linear C6 hydrocarbons in a Zn(ii) 1D coordination polymer","New Journal of Chemistry","2021","45","28","12448","12452","10.1039/D1NJ02175C","","","0.82656","Synchrotron","","0.0941","0.0908","","","0.2627","0.2666","","","","","","1.08","","","","has coordinates","268845","2021-09-06","11:59:06",""
"7060718","6.6968","0.0003","28.3884","0.0015","11.8736","0.0006","90","","93.97","0.002","90","","2251.89","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 B Fe N O2 -","- C25 H26 B Fe N O2 -","- C100 H104 B4 Fe4 N4 O8 -","4","1","","Viswanathan, Thamodharan; Palanisami, Nallasamy","Ferrocene-appended boronated ester: effect of cyanovinylene group on the nonlinear optical properties and colorimetric detection of fluoride ion","New Journal of Chemistry","2021","45","28","12509","12518","10.1039/D1NJ01652K","","","0.71073","MoKα","","0.0695","0.0482","","","0.1072","0.1192","","","","","","1.066","","","","has coordinates,has disorder","268848","2021-09-06","11:59:27",""
"7060719","7.5572","0.0009","13.6372","0.0016","22.295","0.003","72.523","0.001","89.93","0.001","81.09","0.001","2162.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 S2 Si4 -","- C40 H66 S2 Si4 -","- C80 H132 S4 Si8 -","2","1","","Obayashi, Kotaro; Higashino, Taiki; Imato, Keiichi; Ooyama, Yousuke","Synthesis, photophysical and electrochemical properties of 1,1′,3,3′-tetrasubstituted-4,4′-bibenzo[c]thiophene derivatives with different substituents on the thiophene rings","New Journal of Chemistry","2021","45","30","13258","13261","10.1039/D1NJ02498A","","","0.71073","MoKa","","0.0681","0.0449","","","0.0991","0.1092","","","","","","1.011","","","","has coordinates","268882","2021-09-06","12:08:01",""
"7060720","22.03","0.0017","7.548","0.0006","20.8392","0.0016","90","","121.727","0.001","90","","2947.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 O2 S2 Si2 -","- C30 H38 O2 S2 Si2 -","- C120 H152 O8 S8 Si8 -","4","0.5","","Obayashi, Kotaro; Higashino, Taiki; Imato, Keiichi; Ooyama, Yousuke","Synthesis, photophysical and electrochemical properties of 1,1′,3,3′-tetrasubstituted-4,4′-bibenzo[c]thiophene derivatives with different substituents on the thiophene rings","New Journal of Chemistry","2021","45","30","13258","13261","10.1039/D1NJ02498A","","","0.71073","MoKa","","0.0462","0.0426","","","0.1152","0.1178","","","","","","1.144","","","","has coordinates","268882","2021-09-06","12:08:02",""
"7060721","8.532","0.0017","15.288","0.003","12.596","0.003","90","","107.57","0.003","90","","1566.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Br2 Cu N5 O2 -","- C10 H17 Br2 Cu N5 O2 -","- C40 H68 Br8 Cu4 N20 O8 -","4","1","","Tupolova, Yulia P.; Levchenkov, Sergey I.; Popov, Leonid D.; Lebedev, Vladimir E.; Minin, Vadim V.; Efimov, Nikolay N.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Zubenko, Alexander A.; Shcherbakov, Igor N.","Unprecedented interplay of antiferro- and ferromagnetic exchange interactions through intermolecular hydrogen bonds in mononuclear Cu(ii) complexes","New Journal of Chemistry","2021","45","27","12236","12246","10.1039/D1NJ01440D","","","0.71073","MoKα","","0.055","0.0302","","","0.0625","0.0702","","","","","","1.006","","","","has coordinates","268853","2021-09-06","12:00:12",""
"7060722","6.8717","0.0014","23.169","0.005","9.1083","0.0018","90","","93.73","0.03","90","","1447.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Cl2 Cu N5 O -","- C10 H15 Cl2 Cu N5 O -","- C40 H60 Cl8 Cu4 N20 O4 -","4","1","","Tupolova, Yulia P.; Levchenkov, Sergey I.; Popov, Leonid D.; Lebedev, Vladimir E.; Minin, Vadim V.; Efimov, Nikolay N.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Zubenko, Alexander A.; Shcherbakov, Igor N.","Unprecedented interplay of antiferro- and ferromagnetic exchange interactions through intermolecular hydrogen bonds in mononuclear Cu(ii) complexes","New Journal of Chemistry","2021","45","27","12236","12246","10.1039/D1NJ01440D","","","0.9626","synchrotron","","0.1214","0.1079","","","0.233","0.2507","","","","","","1.045","","","","has coordinates","268853","2021-09-06","12:00:15",""
"7060723","18.9979","0.0008","13.7617","0.0004","25.5949","0.0016","90","","104.624","0.006","90","","6474.8","0.6","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N O9 -","- C36 H31 N O9 -","- C288 H248 N8 O72 -","8","2","","Zhou, Wei; Li, Zheng; Tian, You-Ping; Han, Xiao-Xue; Liu, Xiong-Li","Chromone‒indanedione reactant: a bifunctional 3C synthon for diastereoselective construction of skeleton-diversified bispiro-[chromanocyclopentane-oxindole-indanedione]","New Journal of Chemistry","2021","45","28","12356","12361","10.1039/D1NJ02257A","","x-ray","1.54184","CuKα","","0.1194","0.0926","","","0.2345","0.2529","","","","","","1.039","","","","has coordinates","268846","2021-09-06","11:59:16",""
"7060724","24.279","0.003","13.6963","0.0009","19.1934","0.0011","90","","97.378","0.008","90","","6329.6","1","149.99","0.1","149.99","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H28 Cl N O8 -","- C35 H28 Cl N O8 -","- C280 H224 Cl8 N8 O64 -","8","1","","Zhou, Wei; Li, Zheng; Tian, You-Ping; Han, Xiao-Xue; Liu, Xiong-Li","Chromone‒indanedione reactant: a bifunctional 3C synthon for diastereoselective construction of skeleton-diversified bispiro-[chromanocyclopentane-oxindole-indanedione]","New Journal of Chemistry","2021","45","28","12356","12361","10.1039/D1NJ02257A","","x-ray","1.54184","CuKα","","0.1089","0.0926","","","0.2966","0.3112","","","","","","1.081","","","","has coordinates","268846","2021-09-06","11:59:16",""
"7060726","13.5003","0.0008","4.557","0.0003","23.5269","0.0017","90","","102.166","0.007","90","","1414.89","0.17","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H34 O5 S -","- C33 H34 O5 S -","- C66 H68 O10 S2 -","2","1","","Iwakura, Izumi; Hashimoto, Sena; Okamura, Kotaro; Komori-Orisaku, Keiko; Akai, Shoji; Yabushita, Atsushi","Crystallization of highly soluble thioglucopyranoside ejected by coherent molecular vibrational excitation using a visible 10 fs pulsed laser","New Journal of Chemistry","2021","45","28","12346","12350","10.1039/D1NJ01429C","","","0.71075","MoKα","","0.0783","0.059","","","0.1393","0.1498","","","","","","1.06","","","","has coordinates","268840","2021-09-06","11:58:31",""
"7060727","20.4907","0.0002","5.32821","0.00005","13.26611","0.00011","90","","100.586","0.0009","90","","1423.73","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O S4 -","- C13 H14 O S4 -","- C52 H56 O4 S16 -","4","1","","Afzali, Azadeh; Abdollahi, Maryam F.; Zhang, Baiyu; Zhao, Yuming","Donor/acceptor substituted dithiafulvenes and tetrathiafulvalene vinylogues: electronic absorption, crystallographic, and computational analyses","New Journal of Chemistry","2021","45","27","11918","11926","10.1039/D1NJ02124A","","x-ray","1.54184","CuKα","","0.0368","0.0336","","","0.0881","0.0906","","","","","","1.055","","","","has coordinates","268850","2021-09-06","11:59:47",""
"7060728","10.1138","0.0001","13.0705","0.0002","21.6545","0.0002","98.305","0.001","93.353","0.001","94.955","0.001","2814.64","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 O2 S8 -","- C26 H26 O2 S8 -","- C104 H104 O8 S32 -","4","2","","Afzali, Azadeh; Abdollahi, Maryam F.; Zhang, Baiyu; Zhao, Yuming","Donor/acceptor substituted dithiafulvenes and tetrathiafulvalene vinylogues: electronic absorption, crystallographic, and computational analyses","New Journal of Chemistry","2021","45","27","11918","11926","10.1039/D1NJ02124A","","x-ray","1.54184","CuKα","","0.0785","0.0651","","","0.1859","0.1957","","","","","","1.038","","","","has coordinates","268850","2021-09-06","11:59:47",""
"7060729","10.0328","0.0004","11.4799","0.0006","12.7909","0.0004","81.281","0.003","88.789","0.003","72.88","0.004","1391.22","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N2 O4 S8 -","- C24 H20 N2 O4 S8 -","- C48 H40 N4 O8 S16 -","2","1","","Afzali, Azadeh; Abdollahi, Maryam F.; Zhang, Baiyu; Zhao, Yuming","Donor/acceptor substituted dithiafulvenes and tetrathiafulvalene vinylogues: electronic absorption, crystallographic, and computational analyses","New Journal of Chemistry","2021","45","27","11918","11926","10.1039/D1NJ02124A","","x-ray","1.54184","CuKα","","0.0538","0.0462","","","0.1212","0.1255","","","","","","1.083","","","","has coordinates","268850","2021-09-06","11:59:47",""
"7060730","8.54193","0.00013","14.0748","0.0003","27.4895","0.0005","90","","97.1341","0.0016","90","","3279.37","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.75 H23.5 Cl1.5 N2 O4 S9 -","- C24.75 H23.5 Cl1.5 N2 O4 S9 -","- C99 H94 Cl6 N8 O16 S36 -","4","1","","Afzali, Azadeh; Abdollahi, Maryam F.; Zhang, Baiyu; Zhao, Yuming","Donor/acceptor substituted dithiafulvenes and tetrathiafulvalene vinylogues: electronic absorption, crystallographic, and computational analyses","New Journal of Chemistry","2021","45","27","11918","11926","10.1039/D1NJ02124A","","x-ray","1.54184","CuKα","","0.0758","0.0672","","","0.1818","0.1892","","","","","","1.065","","","","has coordinates,has disorder","268850","2021-09-06","11:59:47",""
"7060731","7.3968","0.0003","8.334","0.0002","11.6041","0.0003","82.169","0.002","89.492","0.002","73.337","0.002","678.56","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N O2 S4 -","- C12 H11 N O2 S4 -","- C24 H22 N2 O4 S8 -","2","1","","Afzali, Azadeh; Abdollahi, Maryam F.; Zhang, Baiyu; Zhao, Yuming","Donor/acceptor substituted dithiafulvenes and tetrathiafulvalene vinylogues: electronic absorption, crystallographic, and computational analyses","New Journal of Chemistry","2021","45","27","11918","11926","10.1039/D1NJ02124A","","x-ray","1.54184","CuKα","","0.0334","0.0323","","","0.0913","0.0923","","","","","","1.161","","","","has coordinates","268850","2021-09-06","11:59:47",""
"7060732","22.6435","0.0014","6.4529","0.0004","9.0191","0.0006","90","","92.107","0.006","90","","1316.95","0.14","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 I3 N O3 Pb -","- C3 H10 I3 N O3 Pb -","- C12 H40 I12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.062","0.0563","","","0.1515","0.156","","","","","","1.107","","","","has coordinates","268843","2021-09-06","11:58:52",""
"7060733","21.836","0.004","6.0904","0.0011","8.79","0.003","90","","92.41","0.02","90","","1167.9","0.5","296","","296","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 Br3 N O3 Pb -","- C3 H10 Br3 N O3 Pb -","- C12 H40 Br12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.0513","0.0436","","","0.0981","0.1037","","","","","","1.061","","","","has coordinates,has disorder","268843","2021-09-06","11:58:53",""
"7060734","22.56","0.003","6.443","0.0005","8.9978","0.0007","90","","92.204","0.009","90","","1306.9","0.2","293","","293","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 I3 N O3 Pb -","- C3 H10 I3 N O3 Pb -","- C12 H40 I12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.0946","0.0873","","","0.257","0.2665","","","","","","1.086","","","","has coordinates","268843","2021-09-06","11:58:53",""
"7060735","21.8559","0.0018","6.0868","0.0006","8.7692","0.0008","90","","93.177","0.008","90","","1164.8","0.18","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 Br3 N O3 Pb -","- C3 H10 Br3 N O3 Pb -","- C12 H40 Br12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.0694","0.0603","","","0.1401","0.1506","","","","","","1.049","","","","has coordinates,has disorder","268843","2021-09-06","11:58:53",""
"7060736","13.707","0.0008","28.9106","0.0018","13.0438","0.0008","90","","91.887","0.002","90","","5166.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 N12 O14 Zn3 -","- C43 H60 N12 O14 Zn3 -","- C172 H240 N48 O56 Zn12 -","4","1","","Das, Amal; Sharma, Pranay; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Ahmed, Ruksana Sultana; Hussain, Sahid; Bhattacharyya, Manjit K.","Supramolecular assemblies involving biologically relevant antiparallel π-stacking and unconventional solvent driven structural topology in maleato and fumarato bridged Zn(ii) coordination polymers: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","29","13040","13055","10.1039/D1NJ00619C","","","1.54178","CuKα","","0.0776","0.0769","","","0.1941","0.1944","","","","","","1.372","","","","has coordinates","268837","2021-09-06","11:57:57",""
"7060737","9.558","0.009","9.045","0.009","9.977","0.009","90","","105.39","0.02","90","","831.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N4 O6 Zn -","- C14 H18 N4 O6 Zn -","- C28 H36 N8 O12 Zn2 -","2","0.5","","Das, Amal; Sharma, Pranay; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Ahmed, Ruksana Sultana; Hussain, Sahid; Bhattacharyya, Manjit K.","Supramolecular assemblies involving biologically relevant antiparallel π-stacking and unconventional solvent driven structural topology in maleato and fumarato bridged Zn(ii) coordination polymers: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","29","13040","13055","10.1039/D1NJ00619C","","","0.71073","MoKα","","0.0303","0.0229","","","0.0541","0.057","","","","","","1.063","","","","has coordinates","268837","2021-09-06","11:57:58",""
"7060738","10.0153","0.0008","17.3133","0.0014","19.6665","0.0016","90","","103.495","0.003","90","","3316","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 I2 Mn N2 O6 P2 -","- C28 H32 I2 Mn N2 O6 P2 -","- C112 H128 I8 Mn4 N8 O24 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Di Vera, Andrea; Palù, Alberto; Ferraro, Valentina","Manganese(ii) bromo- and iodo-complexes with phosphoramidate and phosphonate ligands: synthesis, characterization and photoluminescence","New Journal of Chemistry","2021","45","29","12871","12878","10.1039/D1NJ02053F","","","0.71073","MoKα","","0.0589","0.0472","","","0.1777","0.1889","","","","","","1.119","","","","has coordinates","268835","2021-09-06","11:57:16",""
"7060739","11.1151","0.0009","14.0317","0.0012","16.0386","0.0014","90","","100.395","0.003","90","","2460.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 I2 Mn N4 O4 P2 -","- C14 H28 I2 Mn N4 O4 P2 -","- C56 H112 I8 Mn4 N16 O16 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Di Vera, Andrea; Palù, Alberto; Ferraro, Valentina","Manganese(ii) bromo- and iodo-complexes with phosphoramidate and phosphonate ligands: synthesis, characterization and photoluminescence","New Journal of Chemistry","2021","45","29","12871","12878","10.1039/D1NJ02053F","","","0.71073","MoKα","","0.0458","0.0395","","","0.096","0.0986","","","","","","1.094","","","","has coordinates","268835","2021-09-06","11:57:16",""
"7060740","11.7628","0.0014","9.0147","0.001","23.078","0.003","90","","103.072","0.004","90","","2383.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Br2 Mn N4 O4 P2 -","- C14 H28 Br2 Mn N4 O4 P2 -","- C56 H112 Br8 Mn4 N16 O16 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Di Vera, Andrea; Palù, Alberto; Ferraro, Valentina","Manganese(ii) bromo- and iodo-complexes with phosphoramidate and phosphonate ligands: synthesis, characterization and photoluminescence","New Journal of Chemistry","2021","45","29","12871","12878","10.1039/D1NJ02053F","","","0.71073","MoKα","","0.1004","0.0906","","","0.2264","0.2304","","","","","","1.162","","","","has coordinates","268835","2021-09-06","11:57:16",""
"7060741","17.291","0.0015","10.3838","0.0009","18.4599","0.0015","90","","103.825","0.003","90","","3218.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Br2 Mn N2 O6 P2 -","- C28 H32 Br2 Mn N2 O6 P2 -","- C112 H128 Br8 Mn4 N8 O24 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Di Vera, Andrea; Palù, Alberto; Ferraro, Valentina","Manganese(ii) bromo- and iodo-complexes with phosphoramidate and phosphonate ligands: synthesis, characterization and photoluminescence","New Journal of Chemistry","2021","45","29","12871","12878","10.1039/D1NJ02053F","","","0.71073","MoKα","","0.0377","0.0284","","","0.0627","0.066","","","","","","1.03","","","","has coordinates","268835","2021-09-06","11:57:16",""
"7060742","22.542","0.002","4.7936","0.0005","6.9265","0.0007","90","","90","","90","","748.46","0.13","297","2","297.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H12 B2 O4 -","- C18 H12 B2 O4 -","- C36 H24 B4 O8 -","2","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.0403","0.0319","","","0.0776","0.0828","","","","","","1.045","","","","has coordinates","268833","2021-09-06","11:57:00",""
"7060743","12.9908","0.0004","12.9908","0.0004","30.0245","0.0016","90","","90","","90","","5067","0.3","296.15","","296.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H69 Cl2 Eu0.97 N2 O6 -","- C55 H69 Cl2 Eu0.989 N2 O6 -","- C220 H276 Cl8 Eu3.956 N8 O24 -","4","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.1423","0.1259","","","0.2777","0.287","","","","","","1.078","","","","has coordinates,has disorder","268833","2021-09-06","11:57:01",""
"7060744","12.8865","0.0005","12.8865","0.0005","29.8955","0.0017","90","","90","","90","","4964.5","0.4","296.15","","296.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H69 Cl2 Lu N2 O6 -","- C55 H69 Cl2 Lu N2 O6 -","- C220 H276 Cl8 Lu4 N8 O24 -","4","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.1098","0.07","","","0.1538","0.1728","","","","","","1.093","","","","has coordinates,has disorder","268833","2021-09-06","11:57:01",""
"7060745","12.9011","0.0005","12.9011","0.0005","29.9105","0.0016","90","","90","","90","","4978.3","0.4","296.15","","296.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C47 H53 Cl2 N2 O4 Yb -","- C47 H53 Cl2 N2 O4 Yb -","- C188 H212 Cl8 N8 O16 Yb4 -","4","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.0837","0.0671","","","0.1542","0.1652","","","","","","1.048","","","","has coordinates,has disorder","268833","2021-09-06","11:57:01",""
"7060746","12.9665","0.0012","12.9771","0.0012","30.056","0.003","90","","90","","90","","5057.4","0.8","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H51 Cl2 N2 O4 Sm -","- C47 H53 Cl2 N2 O4 Sm -","- C188 H212 Cl8 N8 O16 Sm4 -","4","1","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.1485","0.1025","","","0.2417","0.2686","","","","","","1.037","","","","has coordinates","268833","2021-09-06","11:57:01",""
"7060747","7.495","0.003","9.356","0.004","10.19","0.004","72.347","0.008","87.502","0.009","77.247","0.008","663.9","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 N8 Na2 O10 -","- C6 H4 N8 Na2 O10 -","- C12 H8 N16 Na4 O20 -","2","1","","Wang, Yu; Xu, Siyu; Li, Heng; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Laser ignition of energetic complexes: impact of metal ion on laser initiation ability","New Journal of Chemistry","2021","45","28","12705","12710","10.1039/D1NJ02345D","","","0.71073","MoKα","","0.0674","0.0516","","","0.1363","0.1497","","","","","","0.995","","","","has coordinates","268849","2021-09-06","11:59:35",""
"7060748","17.7607","0.0012","6.407","0.0004","30.907","0.002","90","","90","","90","","3517","0.4","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Ca N8 O15 -","- C6 H14 Ca N8 O15 -","- C48 H112 Ca8 N64 O120 -","8","1","","Wang, Yu; Xu, Siyu; Li, Heng; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Laser ignition of energetic complexes: impact of metal ion on laser initiation ability","New Journal of Chemistry","2021","45","28","12705","12710","10.1039/D1NJ02345D","","","0.71073","MoKα","","0.1363","0.0631","","","0.1269","0.161","","","","","","1.046","","","","has coordinates,has disorder","268849","2021-09-06","11:59:35",""
"7060749","3.4912","0.0002","12.4624","0.0005","17.4963","0.0009","90","","92.169","0.002","90","","760.7","0.07","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Mg N4 O6 -","- C3 H4 Mg N4 O6 -","- C12 H16 Mg4 N16 O24 -","4","1","","Wang, Yu; Xu, Siyu; Li, Heng; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Laser ignition of energetic complexes: impact of metal ion on laser initiation ability","New Journal of Chemistry","2021","45","28","12705","12710","10.1039/D1NJ02345D","","","0.71073","MoKα","","0.0587","0.0397","","","0.0907","0.1023","","","","","","1.107","","","","has coordinates","268849","2021-09-06","11:59:35",""
"7060750","7.9777","0.0011","18.001","0.002","9.8873","0.0015","90","","102.334","0.003","90","","1387.1","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Ba N8 O11 -","- C6 H6 Ba N8 O11 -","- C24 H24 Ba4 N32 O44 -","4","1","","Wang, Yu; Xu, Siyu; Li, Heng; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Laser ignition of energetic complexes: impact of metal ion on laser initiation ability","New Journal of Chemistry","2021","45","28","12705","12710","10.1039/D1NJ02345D","","","0.71073","MoKα","","0.0402","0.0321","","","0.0699","0.0754","","","","","","1.036","","","","has coordinates","268849","2021-09-06","11:59:35",""
"7060751","7.936","0.0004","13.5817","0.0007","14.9895","0.0008","67.7447","0.0012","79.9145","0.0013","76.0472","0.0012","1444.83","0.13","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 B F2 N2 O3 -","- C30 H43 B F2 N2 O3 -","- C60 H86 B2 F4 N4 O6 -","2","1","","Cai, Yi-Hong; Chih, Hsin-Yun; Lee, Gene-Hsiang; Lai, Chung K.","Aggregation-induced emissions in the mesogenic BF2 complexes of aroylhydrazines","New Journal of Chemistry","2021","45","28","12557","12568","10.1039/D1NJ02001C","","","1.54178","CuKα","","0.0413","0.0393","","","0.1081","0.1106","","","","","","1.028","","","","has coordinates","268842","2021-09-06","11:58:46",""
"7060752","21.4898","0.0012","25.2933","0.0009","33.1199","0.0016","90","","90","","90","","18002.3","1.5","100","","100","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C17 H7 N O18 Zr3 -","- C17 H7 N O18 Zr3 -","- C272 H112 N16 O288 Zr48 -","16","1","","Radha, Govu; Leelasree, T.; Muthukumar, D.; Pillai, Renjith S.; Aggarwal, Himanshu","Highly selective detection of TNP over other nitro compounds in water: the role of selective host‒guest interactions in Zr-NDI MOF","New Journal of Chemistry","2021","45","29","12931","12937","10.1039/D1NJ02343H","","","1.54184","CuKα","","0.0976","0.0716","","","0.2115","0.2586","","","","","","1.0766","","","","has coordinates","268836","2021-09-06","11:57:45",""
"7060753","17.717","0.002","28.415","0.004","18.868","0.003","90","","102.1","0.002","90","","9288","2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98.5 H81.75 Eu N6.25 O15 Zn2 -","- C98.5 H81.75 Eu N6.25 O15 Zn2 -","- C394 H327 Eu4 N25 O60 Zn8 -","4","1","","Melnikov, Stanislav N.; Evstifeev, Igor S.; Nikolaveskii, Stanislav A.; Ananyev, Ivan V.; Varaksina, Evgenia A.; Taydakov, Ilya V.; Goloveshkin, Alexander S.; Sidorov, Aleksey A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The effect of terminal N-donor aromatic ligands on the sensitization and emission of lanthanide ions in Zn2Ln (Ln = Eu, Tb) complexes with 4-biphenylcarboxylate anions","New Journal of Chemistry","2021","45","30","13349","13359","10.1039/D0NJ05994C","","","0.71073","MoKα","","0.1739","0.0867","","","0.2008","0.2409","","","","","","1.03","","","","has coordinates,has disorder","268890","2021-09-06","12:12:03",""
"7060754","30.502","0.002","14.3818","0.0011","20.1905","0.0016","90","","100.121","0.001","90","","8719.2","1.1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H76 Eu N7 O15 Zn2 -","- C102 H76 Eu N7 O15 Zn2 -","- C408 H304 Eu4 N28 O60 Zn8 -","4","0.5","","Melnikov, Stanislav N.; Evstifeev, Igor S.; Nikolaveskii, Stanislav A.; Ananyev, Ivan V.; Varaksina, Evgenia A.; Taydakov, Ilya V.; Goloveshkin, Alexander S.; Sidorov, Aleksey A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The effect of terminal N-donor aromatic ligands on the sensitization and emission of lanthanide ions in Zn2Ln (Ln = Eu, Tb) complexes with 4-biphenylcarboxylate anions","New Journal of Chemistry","2021","45","30","13349","13359","10.1039/D0NJ05994C","","","0.71073","MoKα","","0.0707","0.0507","","","0.1204","0.1311","","","","","","1.032","","","","has coordinates,has disorder","268890","2021-09-06","12:12:05",""
"7060755","16.666","0.005","16.983","0.005","17.358","0.005","67.158","0.005","75.572","0.005","88.289","0.005","4373","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H67 Eu N4 O15 Zn2 -","- C90 H67 Eu N4 O15 Zn2 -","- C180 H134 Eu2 N8 O30 Zn4 -","2","1","","Melnikov, Stanislav N.; Evstifeev, Igor S.; Nikolaveskii, Stanislav A.; Ananyev, Ivan V.; Varaksina, Evgenia A.; Taydakov, Ilya V.; Goloveshkin, Alexander S.; Sidorov, Aleksey A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The effect of terminal N-donor aromatic ligands on the sensitization and emission of lanthanide ions in Zn2Ln (Ln = Eu, Tb) complexes with 4-biphenylcarboxylate anions","New Journal of Chemistry","2021","45","30","13349","13359","10.1039/D0NJ05994C","","","0.71073","MoKα","","0.2358","0.1237","","","0.3014","0.3815","","","","","","1.014","","","","has coordinates,has disorder","268890","2021-09-06","12:12:05",""
"7060756","11.7393","0.0005","22.1195","0.001","30.8117","0.0013","90","","100.661","0.001","90","","7862.7","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H68.5 Eu N4.5 O15 Zn2 -","- C91 H68.5 Eu N4.5 O15 Zn2 -","- C364 H274 Eu4 N18 O60 Zn8 -","4","1","","Melnikov, Stanislav N.; Evstifeev, Igor S.; Nikolaveskii, Stanislav A.; Ananyev, Ivan V.; Varaksina, Evgenia A.; Taydakov, Ilya V.; Goloveshkin, Alexander S.; Sidorov, Aleksey A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The effect of terminal N-donor aromatic ligands on the sensitization and emission of lanthanide ions in Zn2Ln (Ln = Eu, Tb) complexes with 4-biphenylcarboxylate anions","New Journal of Chemistry","2021","45","30","13349","13359","10.1039/D0NJ05994C","","","0.71073","MoKα","","0.0437","0.0318","","","0.0667","0.0709","","","","","","1.034","","","","has coordinates,has disorder","268890","2021-09-06","12:12:05",""
"7060757","11.7358","0.0014","22.044","0.003","30.788","0.004","90","","100.651","0.003","90","","7827.8","1.7","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H68.5 N4.5 O15 Tb Zn2 -","- C91 H68.5 N4.5 O15 Tb Zn2 -","- C364 H274 N18 O60 Tb4 Zn8 -","4","1","","Melnikov, Stanislav N.; Evstifeev, Igor S.; Nikolaveskii, Stanislav A.; Ananyev, Ivan V.; Varaksina, Evgenia A.; Taydakov, Ilya V.; Goloveshkin, Alexander S.; Sidorov, Aleksey A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The effect of terminal N-donor aromatic ligands on the sensitization and emission of lanthanide ions in Zn2Ln (Ln = Eu, Tb) complexes with 4-biphenylcarboxylate anions","New Journal of Chemistry","2021","45","30","13349","13359","10.1039/D0NJ05994C","","","0.71073","MoKα","","0.103","0.0503","","","0.0865","0.1037","","","","","","1.007","","","","has coordinates,has disorder","268890","2021-09-06","12:12:05",""
"7060758","10.0691","0.0003","22.5723","0.0006","13.2877","0.0003","90","","90.541","0.001","90","","3019.93","0.14","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Mn3 N6 O13 -","- C25 H28 Mn3 N6 O13 -","- C100 H112 Mn12 N24 O52 -","4","1","","Khatun, Rousunara; Dolai, Malay; Sasmal, Mihir; Sepay, Nayim; Ali, Mahammad","Bovine serum albumin interactive one dimensional hexanuclear manganese(iii) complex: synthesis, structure, binding and molecular docking studies","New Journal of Chemistry","2021","45","28","12678","12687","10.1039/D1NJ01492G","","","0.71073","MoKα","","0.072","0.0441","","","0.1033","0.1178","","","","","","1.066","","","","has coordinates","268847","2021-09-06","11:59:21",""
"7060759","11.8089","0.0001","14.1846","0.0002","13.2623","0.0002","90","","96.253","0.001","90","","2208.28","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cl4 Fe N2 -","- C21 H19 Cl4 Fe N2 -","- C84 H76 Cl16 Fe4 N8 -","4","1","","Zafar, Anham; Imtiaz-ud-Din.,; Ahmed, Safeer; Bučar, Dejan-Krešimir; Tahir, Muhammad Nawaz; Palgrave, Robert G.","Synthesis, structural analysis, electrochemical and magnetic properties of tetrachloroferrate ionic liquids","New Journal of Chemistry","2021","45","30","13429","13440","10.1039/D1NJ01400E","","x-ray","1.54184","CuKα","","0.0256","0.0238","","","0.06","0.0611","","","","","","1.043","","","","has coordinates","268886","2021-09-06","12:08:39",""
"7060760","7.3345","0.0005","15.4892","0.001","12.8785","0.0007","90","","100.608","0.002","90","","1438.06","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Dimethyl-1H-benzimidazol-3-ium tetrachloro-iron(iii)","","- C9 H11 Cl4 Fe N2 -","- C9 H11 Cl4 Fe N2 -","- C36 H44 Cl16 Fe4 N8 -","4","1","","Zafar, Anham; Imtiaz-ud-Din.,; Ahmed, Safeer; Bučar, Dejan-Krešimir; Tahir, Muhammad Nawaz; Palgrave, Robert G.","Synthesis, structural analysis, electrochemical and magnetic properties of tetrachloroferrate ionic liquids","New Journal of Chemistry","2021","45","30","13429","13440","10.1039/D1NJ01400E","","","0.71073","MoKα","","0.0504","0.0336","","","0.0825","0.0925","","","","","","1.02","","","","has coordinates","268886","2021-09-06","12:08:48",""
"7060761","11.0023","0.0006","6.5793","0.0004","18.0616","0.001","90","","91.02","0.002","90","","1307.23","0.13","301","2","301","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B10 La2 Na2 O19 -","- B10 La2 Na2 O19 -","- B40 La8 Na8 O76 -","4","0.5","","Wu, Chengfa; Feng, Junwei; Yu, Feng","Na2La2B10O19: a new lanthanum sodium borate with infinite 2D layer 2∞[B10O19]8− and moderate birefringence","New Journal of Chemistry","2021","45","30","13592","13598","10.1039/D1NJ02547C","","","0.71073","MoKα","","0.0224","0.0175","","","0.0421","0.0442","","","","","","1.071","","","","has coordinates","268885","2021-09-06","12:08:31",""
"7060762","11.4441","0.0002","12.0794","0.0003","14.9188","0.0003","80.24","0.002","82.803","0.002","85.084","0.002","2012.09","0.07","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 K N6 O8 -","- C44 H48 K N6 O8 -","- C88 H96 K2 N12 O16 -","2","1","","Faraonov, Maxim A.; Romanenko, Nikita R.; Mikhailenko, Maxim V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Konarev, Dmitri V.","Structure and properties of radical anion and dianion salts of organic dye trans-perinone and its mixed salt with gallium(iii) phthalocyanine","New Journal of Chemistry","2021","45","30","13599","13607","10.1039/D1NJ01636A","","x-ray","0.71073","MoKα","","0.0546","0.0411","","","0.0927","0.0991","","","","","","1.026","","","","has coordinates,has disorder","268888","2021-09-06","12:09:19",""
"7060763","11.6004","0.0004","14.3107","0.0005","15.3727","0.0005","117.003","0.003","96.466","0.002","101.062","0.003","2172.57","0.15","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C55 H40 Cl2 N3 O P2 -","- C55 H40 Cl2 N3 O P2 -","- C110 H80 Cl4 N6 O2 P4 -","2","1","","Faraonov, Maxim A.; Romanenko, Nikita R.; Mikhailenko, Maxim V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Konarev, Dmitri V.","Structure and properties of radical anion and dianion salts of organic dye trans-perinone and its mixed salt with gallium(iii) phthalocyanine","New Journal of Chemistry","2021","45","30","13599","13607","10.1039/D1NJ01636A","","x-ray","0.71073","MoKα","","0.0489","0.0418","","","0.1039","0.1086","","","","","","1.022","","","","has coordinates","268888","2021-09-06","12:09:23",""
"7060764","14.1204","0.0001","15.0279","0.0001","18.5452","0.0002","96.861","0.001","93.415","0.001","103.888","0.001","3776.96","0.06","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H70 Cl7 Ga K N12 O7 -","- C81 H70 Cl7 Ga K N12 O7 -","- C162 H140 Cl14 Ga2 K2 N24 O14 -","2","1","","Faraonov, Maxim A.; Romanenko, Nikita R.; Mikhailenko, Maxim V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Konarev, Dmitri V.","Structure and properties of radical anion and dianion salts of organic dye trans-perinone and its mixed salt with gallium(iii) phthalocyanine","New Journal of Chemistry","2021","45","30","13599","13607","10.1039/D1NJ01636A","","x-ray","0.71073","MoKα","","0.032","0.0301","","","0.0798","0.0809","","","","","","1.016","","","","has coordinates","268888","2021-09-06","12:09:25",""
"7060765","11.0933","0.0005","18.934","0.0009","12.1126","0.0005","90","","90","","90","","2544.1","0.2","300","2","300","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C22 H33 Cl3 Fe N3 O -","- C22 H28 Cl3 Fe N3 O -","- C88 H112 Cl12 Fe4 N12 O4 -","4","0.5","","Melotti, Marcelo; S. S. Paqui, Matheus; Amorim, André L.; P. de Paula, Carla; Rocha, Marina C.; Malavazi, Iran; Cunha, Anderson; S. Santana, Francielli; Ribeiro, Ronny R.; Gariani, Rogério A.; Mendes, Samuel R.; Xavier, Fernando R.","Polypyridyl iron(iii) complexes containing long alkyl chains: synthesis, characterization, DFT calculations and biological activity","New Journal of Chemistry","2021","45","29","12902","12914","10.1039/D0NJ00895H","","","0.71073","MoKα","","0.0384","0.0321","","","0.0813","0.0851","","","","","","1.034","","","","has coordinates","268834","2021-09-06","11:57:06",""
"7060766","13.8948","0.0014","9.0438","0.001","22.866","0.002","90","","106.708","0.005","90","","2752.1","0.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 B10 Br N O2 -","- C6 H12 B10 Br N O2 -","- C48 H96 B80 Br8 N8 O16 -","8","2","","Ol'shevskaya, Valentina A.; Alpatova, Victoria M.; Makarenkov, Anton V.; Kononova, Elena G.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Rys, Evgeny G.","Synthesis of maleimide-functionalized carboranes and their utility in Michael addition reactions","New Journal of Chemistry","2021","45","27","12159","12167","10.1039/D1NJ02499J","","","0.71073","MoKα","","0.0338","0.0254","","","0.0608","0.0638","","","","","","1.0373","","","","has coordinates","268857","2021-09-06","12:01:09",""
"7060767","6.9661","0.0017","7.0272","0.0017","11.414","0.003","105.946","0.004","91.131","0.004","95.61","0.004","534","0.2","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C8 H23 B20 N O2 S -","- C8 H23 B20 N O2 S -","- C8 H23 B20 N O2 S -","1","1","","Ol'shevskaya, Valentina A.; Alpatova, Victoria M.; Makarenkov, Anton V.; Kononova, Elena G.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Rys, Evgeny G.","Synthesis of maleimide-functionalized carboranes and their utility in Michael addition reactions","New Journal of Chemistry","2021","45","27","12159","12167","10.1039/D1NJ02499J","","","0.71073","MoKα","","0.0576","0.047","","","0.1136","0.12","","","","","","1.0748","","","","has coordinates,has disorder","268857","2021-09-06","12:01:09",""
"7060768","14.919","0.003","9.852","0.002","14.708","0.003","90","","115.775","0.004","90","","1946.7","0.7","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B10 Cl F4 N O2 S -","- C12 H14 B10 Cl F4 N O2 S -","- C48 H56 B40 Cl4 F16 N4 O8 S4 -","4","1","","Ol'shevskaya, Valentina A.; Alpatova, Victoria M.; Makarenkov, Anton V.; Kononova, Elena G.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Rys, Evgeny G.","Synthesis of maleimide-functionalized carboranes and their utility in Michael addition reactions","New Journal of Chemistry","2021","45","27","12159","12167","10.1039/D1NJ02499J","","","0.71073","MoKα","","0.0448","0.036","","","0.106","0.1096","","","","","","1.0352","","","","has coordinates,has disorder","268857","2021-09-06","12:01:09",""
"7060769","8.1674","0.0007","8.1674","0.0007","7.2665","0.0013","90","","90","","90","","484.72","0.1","273","2","273","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- Na4 Se4 Sn -","- Na4 Se4 Sn -","- Na8 Se8 Sn2 -","2","0.25","","Gao, Lihua; Bian, Gang; Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui","Na4SnS4 and Na4SnSe4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors","New Journal of Chemistry","2021","45","28","12362","12366","10.1039/D1NJ02565A","","","0.71073","MoKα","","0.0225","0.0202","","","0.0414","0.0419","","","","","","0.933","","","","has coordinates","268839","2021-09-06","11:58:15",""
"7060770","7.8419","0.0006","7.8419","0.0006","6.9522","0.0009","90","","90","","90","","427.53","0.07","298","2","298","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- Na4 S4 Sn -","- Na4 S4 Sn -","- Na8 S8 Sn2 -","2","0.25","","Gao, Lihua; Bian, Gang; Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui","Na4SnS4 and Na4SnSe4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors","New Journal of Chemistry","2021","45","28","12362","12366","10.1039/D1NJ02565A","","","0.71073","MoKα","","0.0127","0.0117","","","0.0214","0.0216","","","","","","1.051","","","","has coordinates","268839","2021-09-06","11:58:25",""
"7060771","9.6967","0.0005","11.2561","0.0007","21.125","0.0012","76.356","0.002","77.471","0.002","67.677","0.002","2051.8","0.2","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H41 Br2 Cl2 N3 Ni -","- C46 H41 Br2 Cl2 N3 Ni -","- C92 H82 Br4 Cl4 N6 Ni2 -","2","1","","Sun, Yao; Chi, Mingjun; Bashir, Muhammad Sohail; Wang, Yusong; Qasim, Muhammad","Influence of intramolecular π‒π and H-bonding interactions on pyrazolylimine nickel-catalyzed ethylene polymerization and co-polymerization","New Journal of Chemistry","2021","45","30","13280","13285","10.1039/D1NJ02437J","","","0.71073","MoKα","","0.0888","0.0534","","","0.1131","0.1353","","","","","","1.038","","","","has coordinates,has disorder","268889","2021-09-06","12:09:30",""
"7060772","14.3997","0.0009","14.7521","0.0009","7.6031","0.0005","90","","96.091","0.001","90","","1605.98","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N6 O2 S -","- C16 H18 N6 O2 S -","- C64 H72 N24 O8 S4 -","4","1","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Anikina, Lada V.; Pukhov, Sergey A.; Karnoukhova, Valentina A.; Kolotyrkina, Natalya G.; Kravchenko, Angelina N.","Synthesis and evaluation of the antiproliferative activity of new heterylmethylidene derivatives of imidazothiazolotriazinones","New Journal of Chemistry","2021","45","27","12271","12285","10.1039/D1NJ02163J","","","0.71073","MoKα","","0.0444","0.0352","","","0.0901","0.0957","","","","","","1.036","","","","has coordinates","268852","2021-09-06","12:00:02",""
"7060773","12.22493","0.00015","22.3649","0.0002","19.3523","0.0002","90","","108.084","0.0013","90","","5029.73","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H29 Eu F18 N4 O8 P2 -","- C47 H29 Eu F18 N4 O8 P2 -","- C188 H116 Eu4 F72 N16 O32 P8 -","4","1","","Bryleva, Yuliya A.; Artem’ev, Alexander V.; Glinskaya, Ludmila A.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Komarov, Vladislav Yu.; Rogovoy, Maxim I.; Davydova, Maria P.","Bright photo- and triboluminescence of centrosymmetric Eu(iii) and Tb(iii) complexes with phosphine oxides containing azaheterocycles","New Journal of Chemistry","2021","45","31","13869","13876","10.1039/D1NJ02441H","","x-ray","0.71073","MoKα","","0.0282","0.023","","","0.0551","0.0571","","","","","","1.044","","","","has coordinates,has disorder","268894","2021-09-06","12:13:19",""
"7060774","12.7089","0.0005","17.7622","0.0007","23.0802","0.001","81.09","0.002","88.144","0.002","88.268","0.002","5142.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H31 Eu F18 N2 O8 P2 -","- C49 H31 Eu F18 N2 O8 P2 -","- C196 H124 Eu4 F72 N8 O32 P8 -","4","2","","Bryleva, Yuliya A.; Artem’ev, Alexander V.; Glinskaya, Ludmila A.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Komarov, Vladislav Yu.; Rogovoy, Maxim I.; Davydova, Maria P.","Bright photo- and triboluminescence of centrosymmetric Eu(iii) and Tb(iii) complexes with phosphine oxides containing azaheterocycles","New Journal of Chemistry","2021","45","31","13869","13876","10.1039/D1NJ02441H","","","0.71073","MoKα","","0.0601","0.0378","","","0.0745","0.0824","","","","","","1.01","","","","has coordinates,has disorder","268894","2021-09-06","12:13:22",""
"7060775","12.6533","0.0005","13.3458","0.0005","30.1222","0.0015","90","","90.64","0.004","90","","5086.4","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H29 Eu F18 N4 O8 P2 -","- C47 H29 Eu F18 N4 O8 P2 -","- C188 H116 Eu4 F72 N16 O32 P8 -","4","1","","Bryleva, Yuliya A.; Artem’ev, Alexander V.; Glinskaya, Ludmila A.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Komarov, Vladislav Yu.; Rogovoy, Maxim I.; Davydova, Maria P.","Bright photo- and triboluminescence of centrosymmetric Eu(iii) and Tb(iii) complexes with phosphine oxides containing azaheterocycles","New Journal of Chemistry","2021","45","31","13869","13876","10.1039/D1NJ02441H","","x-ray","0.71073","MoKα","","0.0481","0.0377","","","0.0774","0.0802","","","","","","1.109","","","","has coordinates,has disorder","268894","2021-09-06","12:13:24",""
"7060776","8.697","0.005","10.798","0.006","13.165","0.007","100.543","0.014","105.004","0.014","113.587","0.014","1035.5","1","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Cl N3 O5 Zn -","- C21 H16 Cl N3 O5 Zn -","- C42 H32 Cl2 N6 O10 Zn2 -","2","1","","Bhunia, Suprava; Dutta, Basudeb; Pal, Kunal; Chandra, Angeera; Jana, Kuladip; Sinha, Chittaranjan","Ultra-trace level detection of Cu2+ in an aqueous medium by novel Zn(ii)-dicarboxylato‒pyridyl coordination polymers and cell imaging with HepG2 cells","New Journal of Chemistry","2021","45","31","13941","13948","10.1039/D1NJ00917F","","","0.71073","MoKα","","0.0972","0.0766","","","0.1953","0.2159","","","","","","1.073","","","","has coordinates,has disorder","268896","2021-09-06","12:14:16",""
"7060777","9.0876","0.0007","10.0804","0.0008","11.7778","0.0009","66.626","0.002","75.962","0.002","65.717","0.002","898.68","0.12","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H12 Cl N3 O5 Zn -","- C19 H12 Cl N3 O5 Zn -","- C38 H24 Cl2 N6 O10 Zn2 -","2","1","","Bhunia, Suprava; Dutta, Basudeb; Pal, Kunal; Chandra, Angeera; Jana, Kuladip; Sinha, Chittaranjan","Ultra-trace level detection of Cu2+ in an aqueous medium by novel Zn(ii)-dicarboxylato‒pyridyl coordination polymers and cell imaging with HepG2 cells","New Journal of Chemistry","2021","45","31","13941","13948","10.1039/D1NJ00917F","","","0.71073","MoKα","","0.0251","0.0244","","","0.067","0.0675","","","","","","1.023","","","","has coordinates,has disorder","268896","2021-09-06","12:14:27",""
"7060778","15.1494","0.0001","15.1494","0.0001","12.0558","0.0002","90","","90","","90","","2766.86","0.05","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C11 H13 Fe N O7 -","- C8 H4 Fe O6 -","- C64 H32 Fe8 O48 -","8","0.5","","Xie, A-Di; Hu, Ming-Gai; Luo, Yu-Hui; Zhu, Xiang-Gui; Wang, Zhi-Hui; Geng, Wu-Yue; Zhang, Hao; Zhang, Dong-En; Zhang, Hong","Synthesis of a stable iron(iii)‒organic framework for a visible light induced simultaneous photocatalytic reduction of Cr(vi) and the degradation of organic dyes in water","New Journal of Chemistry","2021","45","30","13406","13414","10.1039/D1NJ01643A","","","1.54178","CuKα","","0.0339","0.0329","","","0.1021","0.1032","","","","","","1.017","","","","has coordinates","268887","2021-09-06","12:08:56",""
"7060779","8.291","0.003","10.898","0.005","11.966","0.005","100.873","0.014","105.64","0.013","95.465","0.014","1010.2","0.7","193","2","192.99","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 F3 O6 S -","- C21 H19 F3 O6 S -","- C42 H38 F6 O12 S2 -","2","1","","Wang, Guangming; Li, Xun; Wang, Xuepu; Zhang, Kaka","Efficient cascade reactions for luminescent pyrylium biolabels catalysed by light rare-earth elements","New Journal of Chemistry","2021","45","27","12305","12310","10.1039/D1NJ01793D","","","0.71073","MoKα","","0.1823","0.0905","","","0.2011","0.2641","","","","","","1.1188","","","","has coordinates,has disorder","268856","2021-09-06","12:00:37",""
"7060780","11.1649","0.0014","11.6494","0.0014","13.3995","0.0016","95.442","0.002","100.844","0.002","111.648","0.001","1565","0.3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H47 Cl2 F6 N4 P -","- C28 H47 Cl2 F6 N4 P -","- C56 H94 Cl4 F12 N8 P2 -","2","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0699","0.0472","","","0.1113","0.1221","","","","","","1.021","","","","has coordinates,has disorder","268883","2021-09-06","12:08:17",""
"7060781","8.0339","0.0011","13.7156","0.0019","15.213","0.002","90","","102.71","0.001","90","","1635.2","0.4","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 F6 N3 P -","- C12 H22 F6.012 N3 P -","- C48 H88 F24.048 N12 P4 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0543","0.041","","","0.1102","0.1195","","","","","","1.04","","","","has coordinates,has disorder","268883","2021-09-06","12:08:19",""
"7060782","19.8863","0.0012","10.6006","0.0006","14.2336","0.0008","90","","92.037","0.001","90","","2998.6","0.3","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 F6 N3 P -","- C13 H18 F6 N3 P -","- C104 H144 F48 N24 P8 -","8","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0457","0.0361","","","0.0933","0.1008","","","","","","1.033","","","","has coordinates,has disorder","268883","2021-09-06","12:08:19",""
"7060783","9.5341","0.0008","20.2391","0.0017","11.4827","0.001","90","","100.217","0.001","90","","2180.6","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H35 Cl3 N4 -","- C15.998 H34.996 Cl2.996 N4 -","- C63.992 H139.984 Cl11.984 N16 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0342","0.0288","","","0.0749","0.0789","","","","","","1.028","","","","has coordinates,has disorder","268883","2021-09-06","12:08:19",""
"7060784","11.014","0.003","10.06","0.002","10.165","0.002","90","","117.45","0.003","90","","999.5","0.4","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 N2 O -","- C9 H18 N2 O -","- C36 H72 N8 O4 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0946","0.0563","","","0.1249","0.1436","","","","","","1.03","","","","has coordinates","268883","2021-09-06","12:08:19",""
"7060785","10.4385","0.0009","11.3473","0.0009","14.6522","0.0012","90","","90","","90","","1735.5","0.2","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 F6 N3 P -","- C13 H24 F6 N3 P -","- C52 H96 F24 N12 P4 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.032","0.0276","","","0.0665","0.0688","","","","","","1.034","","","","has coordinates","268883","2021-09-06","12:08:19",""
"7060786","11.7611","0.0009","10.3655","0.0008","14.2459","0.0011","90","","113.537","0.001","90","","1592.2","0.2","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 F6 N3 P -","- C11 H22 F6 N3 P -","- C44 H88 F24 N12 P4 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0427","0.0351","","","0.1009","0.1069","","","","","","1.047","","","","has coordinates","268883","2021-09-06","12:08:19",""
"7060787","7.6928","0.0014","17.17","0.003","20.59","0.004","90","","90","","90","","2719.6","0.9","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl4 N4 O2 -","- C22 H36 Cl4 N4 O2 -","- C88 H144 Cl16 N16 O8 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0728","0.0441","","","0.0811","0.0912","","","","","","1.007","","","","has coordinates","268883","2021-09-06","12:08:19",""
"7060788","7.691","0.0004","7.7691","0.0004","12.7167","0.0006","97.994","0.001","91.522","0.002","112.289","0.001","693.63","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Cl2 Co N3 Se -","- C11 H11 Cl2 Co N3 Se -","- C22 H22 Cl4 Co2 N6 Se2 -","2","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","0.56086","AgKα","","0.0499","0.0394","","","0.0937","0.098","","","","","","1.174","","","","has coordinates,has disorder","268832","2021-09-06","11:56:47",""
"7060789","13.8873","0.0008","12.4918","0.0007","7.967","0.0004","90","","90","","90","","1382.09","0.13","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H11 Cl2 Cu N3 Se -","- C11 H11 Cl2 Cu N3 Se -","- C44 H44 Cl8 Cu4 N12 Se4 -","4","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","0.56086","AgKα","","0.0505","0.0361","","","0.0815","0.0872","","","","","","1.045","","","","has coordinates,has disorder","268832","2021-09-06","11:56:48",""
"7060790","8.3309","0.0006","12.1666","0.0009","14.2649","0.0012","90","","93.019","0.003","90","","1443.87","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Br2 Co N3 Se -","- C11 H11 Br2 Co N3 Se -","- C44 H44 Br8 Co4 N12 Se4 -","4","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","0.56086","AgKα","","0.1199","0.0491","","","0.0746","0.0898","","","","","","0.998","","","","has coordinates","268832","2021-09-06","11:56:48",""
"7060791","7.6875","0.0002","7.775","0.0002","12.7025","0.0004","98.029","0.002","91.212","0.002","112.392","0.002","692.81","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Cl2 N3 Se Zn -","- C11 H11 Cl2 N3 Se Zn -","- C22 H22 Cl4 N6 Se2 Zn2 -","2","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","1.54178","CuKα","","0.0588","0.0493","","","0.1082","0.1146","","","","","","1.086","","","","has coordinates,has disorder","268832","2021-09-06","11:56:48",""
"7060792","7.0855","0.0016","16.597","0.005","31.064","0.009","90","","90","","90","","3653.1","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H17 Cl N5 O2 Re Se2 -","- C13 H17 Cl N5 O2 Re Se2 -","- C104 H136 Cl8 N40 O16 Re8 Se16 -","8","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","0.71073","MoKα","","0.0241","0.0189","","","0.0375","0.0401","","","","","","1.169","","","","has coordinates","268832","2021-09-06","11:56:48",""
"7060793","18.0532","0.0002","18.0532","0.0002","6.7441","0.0001","90","","90","","90","","2198.02","0.05","107","5","107","5","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C96 H112 O40 -","8","1","","Zhang, Sha; Kang, Feng-Hua; Tan, Jian-Bing; Chen, De-Kun; Kuang, Min; Wang, Wen-Xuan; Xu, Kang-Ping; Zou, Zhen-xing","(±)-Rhytidhymarins A and B, two pairs of new isocoumarin derivatives from endophytic fungus Rhytidhysteron sp. BZM-9","New Journal of Chemistry","2021","45","28","12700","12704","10.1039/D1NJ01993G","","x-ray","1.54184","CuKα","","0.0626","0.0611","","","0.1495","0.1501","","","","","","1.116","","","","has coordinates","268844","2021-09-06","11:59:00",""
"7060794","18.0572","0.0004","18.0572","0.0004","6.7365","0.0002","90","","90","","90","","2196.52","0.09","101","2","101","2","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C96 H112 O40 -","- C96 H112 O40 -","- C96 H112 O40 -","1","0.125","","Zhang, Sha; Kang, Feng-Hua; Tan, Jian-Bing; Chen, De-Kun; Kuang, Min; Wang, Wen-Xuan; Xu, Kang-Ping; Zou, Zhen-xing","(±)-Rhytidhymarins A and B, two pairs of new isocoumarin derivatives from endophytic fungus Rhytidhysteron sp. BZM-9","New Journal of Chemistry","2021","45","28","12700","12704","10.1039/D1NJ01993G","","x-ray","1.54184","CuKα","","0.0653","0.0633","","","0.1455","0.1464","","","","","","1.179","","","","has coordinates","268844","2021-09-06","11:59:01",""
"7060795","28.7105","0.0008","8.3984","0.0003","30.9075","0.0012","90","","105.201","0.0011","90","","7191.7","0.4","173","2","173.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H80 Dy4 N12 O20 -","- C68 H80 Dy4 N12 O20 -","- C272 H320 Dy16 N48 O80 -","4","0.5","","Yang, Chen; Wei, Yu-Heng; Xu, Shuang; Zhang, Hao-Yu; Yang, Yue-Qi; Zhang, Bo; Fang, Ming","Single molecule magnet behavior and magnetic refrigeration of carbonyl oxygen-bridged tetranuclear lanthanide complexes","New Journal of Chemistry","2021","45","31","14103","14110","10.1039/D1NJ01833G","","","0.71073","MoKα","","0.0444","0.0295","","","0.0607","0.0671","","","","","","1.078","","","","has coordinates","268898","2021-09-06","12:14:56",""
"7060796","28.8296","0.0008","8.3601","0.0003","30.9973","0.0011","90","","105.315","0.001","90","","7205.6","0.4","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H80 Gd4 N12 O20 -","- C68 H80 Gd4 N12 O20 -","- C272 H320 Gd16 N48 O80 -","4","0.5","","Yang, Chen; Wei, Yu-Heng; Xu, Shuang; Zhang, Hao-Yu; Yang, Yue-Qi; Zhang, Bo; Fang, Ming","Single molecule magnet behavior and magnetic refrigeration of carbonyl oxygen-bridged tetranuclear lanthanide complexes","New Journal of Chemistry","2021","45","31","14103","14110","10.1039/D1NJ01833G","","","0.71073","MoKα","","0.0709","0.0388","","","0.0856","0.1031","","","","","","1.073","","","","has coordinates","268898","2021-09-06","12:14:56",""
"7060797","28.7205","0.0014","8.3577","0.0004","30.9008","0.0016","90","","105.243","0.0014","90","","7156.4","0.6","150","2","149.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H80 N12 O20 Tb4 -","- C68 H80 N12 O20 Tb4 -","- C272 H320 N48 O80 Tb16 -","4","0.5","","Yang, Chen; Wei, Yu-Heng; Xu, Shuang; Zhang, Hao-Yu; Yang, Yue-Qi; Zhang, Bo; Fang, Ming","Single molecule magnet behavior and magnetic refrigeration of carbonyl oxygen-bridged tetranuclear lanthanide complexes","New Journal of Chemistry","2021","45","31","14103","14110","10.1039/D1NJ01833G","","","0.71073","MoKα","","0.0965","0.0476","","","0.0961","0.1129","","","","","","1.027","","","","has coordinates","268898","2021-09-06","12:14:56",""
"7060798","7.003","0.003","15.272","0.006","21.223","0.008","90","","90","","90","","2269.8","1.6","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Jiao, Luzhen; Cao, Guorui; Teng, Dawei","Ag(i)/(S,S)-ip-FOXAP catalyzed diastereo- and enantioselective 1,3-dipolar cycloaddition of azomethine ylides with benzosultam-3-ylidenes","New Journal of Chemistry","2021","45","32","14401","14405","10.1039/D1NJ01284C","","","0.71073","MoKα","","0.0594","0.054","","","0.1177","0.1217","","","","","","1.077","","","","has coordinates","268861","2021-09-06","12:01:46",""
"7060799","8.5712","0.0006","8.7884","0.001","9.8797","0.0006","115.216","0.008","97.265","0.006","108.823","0.008","606.26","0.12","125.3","0.6","125.3","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Cu2 N8 O8 S2 -","- C16 H24 Cu2 N8 O8 S2 -","- C16 H24 Cu2 N8 O8 S2 -","1","0.5","","Hchicha, Khouloud; Korb, Marcus; Badraoui, Riadh; Naïli, Houcine","A novel sulfate-bridged binuclear copper(ii) complex: structure, optical, ADMET and in vivo approach in a murine model of bone metastasis","New Journal of Chemistry","2021","45","31","13775","13784","10.1039/D1NJ02388H","","","0.71073","MoKα","","0.0398","0.0338","","","0.0775","0.0796","","","","","","1.098","","","","has coordinates","268893","2021-09-06","12:13:02",""
"7060801","9.664","0.0005","9.9563","0.0005","11.7006","0.0006","106.265","0.002","99.813","0.002","97.972","0.002","1044.05","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H46 N4 O2 -","- C54 H46 N4 O2 -","- C54 H46 N4 O2 -","1","0.5","","Zhu, Chenfei; Li, Chengjian; Wen, Li; Song, Qingbao; Wang, Kai; Lv, Chunyan; Zhang, Yujiang","Piezochromism of cyanostilbene derivatives: a small structural alteration makes a big photophysical difference","New Journal of Chemistry","2021","45","29","12895","12901","10.1039/D1NJ01945G","","","0.71073","MoKα","","0.0631","0.0448","","","0.1008","0.1184","","","","","","1.029","","","","has coordinates","268838","2021-09-06","11:58:08",""
"7060802","48.6981","0.0016","10.7458","0.0004","18.7001","0.0007","90","","104.85","0.001","90","","9458.9","0.6","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H54 N4 O6 -","- C58 H54 N4 O6 -","- C464 H432 N32 O48 -","8","1","","Zhu, Chenfei; Li, Chengjian; Wen, Li; Song, Qingbao; Wang, Kai; Lv, Chunyan; Zhang, Yujiang","Piezochromism of cyanostilbene derivatives: a small structural alteration makes a big photophysical difference","New Journal of Chemistry","2021","45","29","12895","12901","10.1039/D1NJ01945G","","","0.71073","MoKα","","0.0979","0.0505","","","0.1045","0.132","","","","","","1.007","","","","has coordinates,has disorder","268838","2021-09-06","11:58:08",""
"7060803","8.7282","0.0002","8.6664","0.0001","14.9347","0.0003","90","","96.234","0.001","90","","1123.01","0.04","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C56 H56 O8 -","2","1","","Kalník, Martin; Zajičková, Mária; Kóňa, Juraj; Šesták, Sergej; Moncoľ, Ján; Koóš, Miroslav; Bella, Maroš","Synthesis of hydroxymethyl analogues of mannostatin A and their evaluation as inhibitors of GH38 α-mannosidases","New Journal of Chemistry","2021","45","30","13539","13548","10.1039/D1NJ02351A","","","1.54186","CuKα","","0.0253","0.025","","","0.0627","0.0629","","","","","","1.086","","","","has coordinates","268884","2021-09-06","12:08:24",""
"7060804","12.054","0.002","10.6413","0.001","13.5706","0.0019","90","","114.096","0.009","90","","1589","0.4","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Bouarfa, Salima; Jéhan, Philippe; Erb, William; Mongin, Olivier; Porée, François-Hugues; Roisnel, Thierry; Bentabed-Ababsa, Ghenia; Le Yondre, Nicolas; Mongin, Florence","Aza-aromatic polycycles based on triphenylene and acridine or acridone: synthesis and properties","New Journal of Chemistry","2021","45","32","14414","14424","10.1039/D1NJ02630E","","x-ray","0.71073","MoKα","","0.0719","0.0563","","","0.2049","0.2336","","","","","","0.976","","","","has coordinates","268864","2021-09-06","12:02:03",""
"7060805","9.6301","0.0009","10.593","0.0009","10.6467","0.0011","100.52","0.004","91.593","0.004","95.892","0.003","1060.99","0.17","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C31 H19 N O -","- C31 H19 N O -","- C62 H38 N2 O2 -","2","1","","Bouarfa, Salima; Jéhan, Philippe; Erb, William; Mongin, Olivier; Porée, François-Hugues; Roisnel, Thierry; Bentabed-Ababsa, Ghenia; Le Yondre, Nicolas; Mongin, Florence","Aza-aromatic polycycles based on triphenylene and acridine or acridone: synthesis and properties","New Journal of Chemistry","2021","45","32","14414","14424","10.1039/D1NJ02630E","","x-ray","0.71073","MoKα","","0.0616","0.0485","","","0.127","0.1395","","","","","","1.035","","","","has coordinates","268864","2021-09-06","12:02:04",""
"7060806","14.3019","0.001","14.942","0.0011","21.4307","0.0015","74.057","0.001","86.379","0.001","65.419","0.001","3997.6","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H80 Ag6 B2 N20 O80 W24 -","- C120 H80 Ag6 B2 N20 O80 W24 -","- C120 H80 Ag6 B2 N20 O80 W24 -","1","0.5","","Liang, Qiu-Lan; Du, Na-Na; Gong, Li-Ge; Wang, Chun-Xiao; Wang, Chun-Mei; Yu, Kai; Zhou, Bai-Bin","A {BW12O40} hybrid decorated by Ag+ for use as a supercapacitor electrode material and photocatalyst","New Journal of Chemistry","2021","45","32","14444","14450","10.1039/D1NJ02845F","","","0.71073","MoKα","","0.0511","0.0415","","","0.1188","0.1248","","","","","","1.022","","","","has coordinates","268867","2021-09-06","12:02:52",""
"7060807","12.775","0.003","15.234","0.003","16.485","0.003","70.82","0.03","79.66","0.03","74.7","0.03","2907.5","1.2","153.15","","153.15","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H52 Cl3 F6 Ir N5 P -","- C65 H52 Cl3 F6 Ir N5 P -","- C130 H104 Cl6 F12 Ir2 N10 P2 -","2","1","","Song, Yongjun; Ren, Hao; Meng, Xianwen; He, Lei","Cationic iridium complexes with an alkyl-linked bulky group at the cyclometalating ligand: synthesis, characterization, and suppression of phosphorescence concentration-quenching","New Journal of Chemistry","2021","45","34","15312","15320","10.1039/D1NJ02375F","","","0.71073","MoKα","","0.0752","0.0677","","","0.1667","0.185","","","","","","1.144","","","","has coordinates","268904","2021-09-06","12:15:48",""
"7060808","21.691","0.003","14.305","0.003","10.6099","0.0014","90","","90","","90","","3292.1","0.9","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1E,4E-1-(4-fluorophenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one","","- C20 H23 F O -","- C20 H23 F O -","- C160 H184 F8 O8 -","8","2","","Custodio, Jean M. F.; Vaz, Wesley F.; Bernardes, Aline; Moura, Andrea F.; Oliver, Allen G.; Molnár, Szilárd; Perjési, Pál; Noda-Perez, Caridad","Alternative mechanisms of action for the apoptotic activity of terpenoid-like chalcone derivatives","New Journal of Chemistry","2021","45","34","15267","15279","10.1039/D1NJ02086B","","","0.71073","MoKα","","0.0815","0.0458","","","0.0894","0.101","","","","","","1.026","","","","has coordinates,has disorder","268900","2021-09-06","12:15:13",""
"7060809","10.7823","0.0016","13.188","0.002","13.277","0.002","90","","94.255","0.003","90","","1882.7","0.5","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cu Mo8 N10 O26 -","- C16 H22 Cu Mo8 N10 O26 -","- C32 H44 Cu2 Mo16 N20 O52 -","2","0.5","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Electrocatalytic, photocatalytic, fluorescence sensing and CO2RR properties of a series of homopolymolybdate hybrid coordination polymers","New Journal of Chemistry","2021","45","30","13340","13348","10.1039/D1NJ02283K","","","0.71073","MoKα","","0.0856","0.0414","","","0.0867","0.1045","","","","","","0.987","","","","has coordinates","268891","2021-09-06","12:12:14",""
"7060810","11.1802","0.0005","13.4116","0.0006","15.9634","0.0007","90","","90.678","0.001","90","","2393.45","0.18","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cu2 Mo4 N4 O22 -","- C10 H16 Cu2 Mo4 N4 O22 -","- C40 H64 Cu8 Mo16 N16 O88 -","4","1","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Electrocatalytic, photocatalytic, fluorescence sensing and CO2RR properties of a series of homopolymolybdate hybrid coordination polymers","New Journal of Chemistry","2021","45","30","13340","13348","10.1039/D1NJ02283K","","","0.71073","MoKα","","0.0368","0.029","","","0.0717","0.0755","","","","","","1.044","","","","has coordinates","268891","2021-09-06","12:12:14",""
"7060811","11.5733","0.0007","13.5849","0.0008","12.902","0.0008","90","","96.796","0.001","90","","2014.2","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Mo8 N10 O30 Zn -","- C16 H30 Mo8 N10 O30 Zn -","- C32 H60 Mo16 N20 O60 Zn2 -","2","0.5","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Electrocatalytic, photocatalytic, fluorescence sensing and CO2RR properties of a series of homopolymolybdate hybrid coordination polymers","New Journal of Chemistry","2021","45","30","13340","13348","10.1039/D1NJ02283K","","","0.71073","MoKα","","0.0582","0.0376","","","0.0872","0.0968","","","","","","1.019","","","","has coordinates","268891","2021-09-06","12:12:14",""
"7060812","17.1238","0.0007","10.8013","0.0004","7.3539","0.0003","90","","94.571","0.001","90","","1355.85","0.09","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cu Mo2 N2 O7 -","- C10 H8 Cu Mo2 N2 O7 -","- C40 H32 Cu4 Mo8 N8 O28 -","4","1","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Electrocatalytic, photocatalytic, fluorescence sensing and CO2RR properties of a series of homopolymolybdate hybrid coordination polymers","New Journal of Chemistry","2021","45","30","13340","13348","10.1039/D1NJ02283K","","","0.71073","MoKα","","0.023","0.0202","","","0.0502","0.0512","","","","","","1.105","","","","has coordinates","268891","2021-09-06","12:12:14",""
"7060813","11.2353","0.0007","7.3127","0.0005","15.8256","0.001","90","","90.408","0.002","90","","1300.2","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DC-004","","","- C6 H6 Br N O -","- C6 H6 Br N O -","- C48 H48 Br8 N8 O8 -","8","2","","Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.","Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E","New Journal of Chemistry","2021","45","30","13302","13316","10.1039/D1NJ02469H","","","1.54178","CuKα","","0.0323","0.032","","","0.0826","0.0828","","","","","","1.202","","","","has coordinates","268892","2021-09-06","12:12:24",""
"7060814","29.6209","0.001","12.7399","0.0004","16.3799","0.0006","90","","116.825","0.001","90","","5516.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DC-006","","","- C26 H34 N2 O10 S -","- C26 H34 N2 O10 S -","- C208 H272 N16 O80 S8 -","8","1","","Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.","Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E","New Journal of Chemistry","2021","45","30","13302","13316","10.1039/D1NJ02469H","","","0.71073","MoKα","","0.0535","0.0383","","","0.0936","0.1026","","","","","","1.044","","","","has coordinates","268892","2021-09-06","12:12:28",""
"7060815","8.3674","0.0003","8.5936","0.0003","10.4526","0.0003","88.161","0.002","88.241","0.001","63.805","0.002","673.95","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DC-006","","","- C13 H12 Br N O3 S -","- C13 H12 Br N O3 S -","- C26 H24 Br2 N2 O6 S2 -","2","1","","Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.","Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E","New Journal of Chemistry","2021","45","30","13302","13316","10.1039/D1NJ02469H","","","0.71073","MoKα","","0.0441","0.0338","","","0.0882","0.0931","","","","","","1.037","","","","has coordinates","268892","2021-09-06","12:12:40",""
"7060816","8.8097","0.0005","12.6229","0.0008","14.4382","0.0009","90","","90","","90","","1605.59","0.17","108","2","108","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VP-003","","","- C7 H8 I N O -","- C7 H8 I N O -","- C56 H64 I8 N8 O8 -","8","1","","Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.","Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E","New Journal of Chemistry","2021","45","30","13302","13316","10.1039/D1NJ02469H","","","0.71073","MoKα","","0.031","0.0198","","","0.0388","0.0415","","","","","","1.057","","","","has coordinates","268892","2021-09-06","12:12:40",""
"7060817","36.3995","0.0013","6.3576","0.0002","25.06","0.0009","90","","123.64","0.001","90","","4828.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","DC-005","","","- C22 H30 Br N2 O7.5 S -","- C22 H30 Br N2 O7.5 S -","- C176 H240 Br8 N16 O60 S8 -","8","1","","Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.","Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E","New Journal of Chemistry","2021","45","30","13302","13316","10.1039/D1NJ02469H","","","1.54178","CuKα","","0.0234","0.0232","","","0.0609","0.061","","","","","","1.065","","","","has coordinates","268892","2021-09-06","12:12:49",""
"7060818","7.725","0.0005","8.423","0.0005","12.846","0.0007","89.463","0.002","85.447","0.002","79.772","0.002","819.97","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","trans-bis(N,N-diethyl-N?-(3,4,5-trimethoxybenzoyl)thioureato-S,O)-palladium(II)","","- C30 H42 N4 O8 Pd S2 -","- C30 H42 N4 O8 Pd S2 -","- C30 H42 N4 O8 Pd S2 -","1","0.5","","Nkabyo, H. A.; Oyenihi, O. R.; Olaoye, O.; Sikiti, P.; Bosman, G. W.; Luckay, R. C.","Photoactive PtII and PdII complexes of N,N-diethyl-N′-3,4,5-trimethoxybenzoylthiourea: synthesis, crystal structures, DFT and cytotoxicity studies","New Journal of Chemistry","2021","45","32","14703","14712","10.1039/D1NJ02320A","","","0.71073","MoKα","","0.0325","0.0277","","","0.0613","0.0632","","","","","","1.05","","","","has coordinates","268862","2021-09-06","12:01:52",""
"7060819","7.7345","0.0004","8.4242","0.0004","12.8464","0.0006","89.769","0.001","85.716","0.002","79.422","0.002","820.47","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 N4 O8 Pt S2 -","- C30 H42 N4 O8 Pt S2 -","- C30 H42 N4 O8 Pt S2 -","1","0.5","","Nkabyo, H. A.; Oyenihi, O. R.; Olaoye, O.; Sikiti, P.; Bosman, G. W.; Luckay, R. C.","Photoactive PtII and PdII complexes of N,N-diethyl-N′-3,4,5-trimethoxybenzoylthiourea: synthesis, crystal structures, DFT and cytotoxicity studies","New Journal of Chemistry","2021","45","32","14703","14712","10.1039/D1NJ02320A","","","0.71073","MoKα","","0.0183","0.0183","","","0.0482","0.0482","","","","","","1.076","","","","has coordinates","268862","2021-09-06","12:01:52",""
"7060820","11.5739","0.0006","9.6588","0.0008","12.8455","0.0009","90","","101.244","0.004","90","","1408.44","0.17","296.15","","296.15","","","","","","","","","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.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.08","0.0387","","","0.0924","0.1159","","","","","","1.081","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060821","10.777","0.002","15.859","0.005","17.45","0.005","90","","106.734","0.012","90","","2856.1","1.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.07","0.0455","","","0.1204","0.1354","","","","","","1.063","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060822","9.2535","0.0013","11.3483","0.0008","12.2374","0.0015","101.283","0.007","90.79","0.008","90.653","0.009","1260","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0699","0.0399","","","0.0994","0.1127","","","","","","1.06","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060823","11.3439","0.0006","9.3494","0.0009","12.3371","0.0009","90","","100.984","0.004","90","","1284.49","0.17","296.15","","296.15","","","","","","","","","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.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0615","0.0362","","","0.08","0.0884","","","","","","1.079","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060824","8.985","0.004","11.328","0.003","12.013","0.005","101.89","0.02","92.74","0.03","91.31","0.03","1194.4","0.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.098","0.0514","","","0.1196","0.1373","","","","","","1.075","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060825","10.76","0.002","15.808","0.006","17.253","0.004","90","","106.721","0.012","90","","2810.5","1.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0604","0.0396","","","0.0925","0.1028","","","","","","1.059","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060826","10.7361","0.0007","15.4827","0.0017","16.6888","0.0011","90","","107.567","0.004","90","","2644.7","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0649","0.0467","","","0.1124","0.1234","","","","","","1.1","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060827","10.6923","0.0008","15.3683","0.0018","16.4865","0.0012","90","","107.682","0.004","90","","2581.1","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0705","0.0498","","","0.122","0.1343","","","","","","1.084","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060828","11.47261","0.00008","9.58685","0.00008","12.72647","0.0001","90","","100.522","0.0007","90","","1376.2","0.019","100","2","100","2","","","","","","","","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.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0228","0.0221","","","0.0549","0.0554","","","","","","1.07","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060829","11.573","0.0006","9.6589","0.0005","12.8541","0.0007","90","","101.274","0.001","90","","1409.14","0.13","300","2","300","2","","","","","","","","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.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0352","0.0283","","","0.0717","0.0754","","","","","","1.03","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060830","9.1367","0.0016","11.366","0.0011","12.111","0.0019","101.644","0.009","91.715","0.01","90.844","0.011","1231","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0756","0.0364","","","0.0817","0.0947","","","","","","1.006","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060831","10.6433","0.0007","15.3285","0.0016","16.4392","0.0011","90","","107.475","0.004","90","","2558.2","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(3,5-bis(pyridin-2-yl)-4H-1,2,4-triazol-4-amine)-bis(isothiocyanato)-Iron (II)","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0642","0.0466","","","0.1111","0.1213","","","","","","1.112","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060832","10.7881","0.0003","15.9005","0.0005","17.3637","0.0005","90","","106.801","0.001","90","","2851.36","0.15","225","2","225","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0453","0.0328","","","0.0756","0.0812","","","","","","1.013","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060833","11.3795","0.0005","9.4118","0.0007","12.4288","0.0007","90","","100.972","0.003","90","","1306.81","0.14","296.15","","296.15","","","","","","","","","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.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0632","0.0369","","","0.0946","0.1107","","","","","","1.054","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060834","10.7819","0.0015","15.87","0.004","17.415","0.003","90","","106.875","0.01","90","","2851.5","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.1318","0.0821","","","0.1916","0.2231","","","","","","1.047","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060835","10.4607","0.0017","15.203","0.004","16.348","0.003","90","","105.886","0.011","90","","2500.6","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.1088","0.0735","","","0.1762","0.1986","","","","","","1.085","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060836","10.7828","0.0003","15.8845","0.0005","17.3213","0.0005","90","","106.828","0.001","90","","2839.74","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.046","0.0334","","","0.076","0.0819","","","","","","1.028","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060837","10.8097","0.0003","15.9326","0.0004","17.4617","0.0005","90","","106.847","0.001","90","","2878.3","0.14","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0505","0.034","","","0.0792","0.0864","","","","","","1.018","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060838","10.7833","0.0003","15.8575","0.0005","17.2623","0.0005","90","","106.969","0.001","90","","2823.27","0.14","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0434","0.0315","","","0.0732","0.0787","","","","","","1.02","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060839","10.809","0.0003","15.7339","0.0005","17.0294","0.0005","90","","107.666","0.001","90","","2759.57","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0326","0.0266","","","0.0636","0.0664","","","","","","1.024","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060840","10.7016","0.0004","15.9017","0.0006","17.1557","0.0006","90","","106.04","0.001","90","","2805.79","0.18","30","2","30","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0379","0.0293","","","0.0682","0.0719","","","","","","1.029","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060841","10.7982","0.0004","15.8008","0.0005","17.157","0.0006","90","","107.383","0.001","90","","2793.64","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0363","0.0285","","","0.0683","0.072","","","","","","1.024","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060842","10.8072","0.0004","15.7062","0.0006","16.9907","0.0007","90","","107.631","0.001","90","","2748.53","0.19","50","2","50","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0393","0.0302","","","0.0695","0.073","","","","","","1.042","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060843","10.8076","0.0003","15.7173","0.0005","17.0045","0.0005","90","","107.657","0.001","90","","2752.41","0.14","75","2","75","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0377","0.0296","","","0.0693","0.0729","","","","","","1.027","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060844","10.8082","0.0004","15.6979","0.0005","16.985","0.0006","90","","107.618","0.001","90","","2746.61","0.17","30","2","30","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0336","0.0279","","","0.0646","0.0673","","","","","","1.039","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060845","10.7949","0.0003","15.9119","0.0005","17.3979","0.0005","90","","106.804","0.001","90","","2860.79","0.15","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0483","0.0331","","","0.0754","0.0821","","","","","","1.021","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060846","10.8057","0.0003","15.7552","0.0005","17.0726","0.0005","90","","107.638","0.001","90","","2769.9","0.14","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.041","0.0312","","","0.0701","0.0738","","","","","","1.022","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060847","27.896","0.006","7.6894","0.0015","22.958","0.005","90","","90.39","","90","","4924.5","1.8","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N4 O6 S -","- C22 H23 N4 O6 S -","- C176 H184 N32 O48 S8 -","8","1","","Seyrani, Hassan; Ramezanpour, Sorour; Vaezghaemi, Aref; Kobarfard, Farzad","A sequential Ugi‒Smiles/transition-metal-free endo-dig Conia‒ene cyclization: the selective synthesis of saccharin substituted 2,5-dihydropyrroles","New Journal of Chemistry","2021","45","34","15647","15654","10.1039/D1NJ01159F","","x-ray","0.71073","MoKα","","0.0702","0.063","","","0.1716","0.1776","","","","","","1.126","","","","has coordinates","268905","2021-09-06","12:16:02",""
"7060848","9.979","0.002","12.736","0.003","16.016","0.004","111.967","0.008","102.448","0.007","93.928","0.007","1818.2","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H56 Cl8 N6 O4 -","- C78 H56 Cl8 N6 O4 -","- C78 H56 Cl8 N6 O4 -","1","0.5","","Rajendran, Narendran; Husain, Ali; Makhseed, Saad","Probing the performance of imide linked micro-porous polymers for enhanced CO2 gas adsorption applications","New Journal of Chemistry","2021","45","34","15487","15496","10.1039/D1NJ01885J","","","0.71075","MoKα","","0.2168","0.0804","","","0.1857","0.2201","","","","","","0.849","","","","has coordinates","268903","2021-09-06","12:15:37",""
"7060849","11.874","0.003","13.417","0.003","14.271","0.003","62.751","0.006","75.23","0.007","82.876","0.006","1954.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H39 F N2 O3 -","- C50 H39 F N2 O3 -","- C100 H78 F2 N4 O6 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Yang, Ren-Yin; Zhao, Ru-Fang; Wang, Yang; Sun, Jing; Yan, Chao-Guo","DDQ dehydrogenative Diels‒Alder reaction for the synthesis of functionalized spiro[carbazole-1,3′-indolines] and spiro[carbazole-1,5′-pyrimidines]","New Journal of Chemistry","2021","45","34","15423","15428","10.1039/D1NJ02836G","","","0.71073","MoKα","","0.162","0.0568","","","0.1273","0.1796","","","","","","1.008","","","","has coordinates","268901","2021-09-06","12:15:22",""
"7060850","17.8914","0.0019","5.5286","0.0006","20.497","0.002","90","","92.686","0.003","90","","2025.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Yang, Ren-Yin; Zhao, Ru-Fang; Wang, Yang; Sun, Jing; Yan, Chao-Guo","DDQ dehydrogenative Diels‒Alder reaction for the synthesis of functionalized spiro[carbazole-1,3′-indolines] and spiro[carbazole-1,5′-pyrimidines]","New Journal of Chemistry","2021","45","34","15423","15428","10.1039/D1NJ02836G","","","0.71073","MoKα","","0.1938","0.0672","","","0.1172","0.1544","","","","","","1.018","","","","has coordinates","268901","2021-09-06","12:15:22",""
"7060851","12.362","0.004","14.904","0.004","18.652","0.005","90","","108.489","0.009","90","","3259.1","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 N3 O4 -","- C39 H33 N3 O4 -","- C156 H132 N12 O16 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Yang, Ren-Yin; Zhao, Ru-Fang; Wang, Yang; Sun, Jing; Yan, Chao-Guo","DDQ dehydrogenative Diels‒Alder reaction for the synthesis of functionalized spiro[carbazole-1,3′-indolines] and spiro[carbazole-1,5′-pyrimidines]","New Journal of Chemistry","2021","45","34","15423","15428","10.1039/D1NJ02836G","","","0.71073","MoKα","","0.1228","0.0558","","","0.1121","0.1384","","","","","","1.011","","","","has coordinates","268901","2021-09-06","12:15:22",""
"7060852","12.3059","0.0011","12.9944","0.001","13.5855","0.0011","99.021","0.002","99.217","0.003","110.717","0.003","1951.4","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H37 Cl N2 O4 -","- C49 H37 Cl N2 O4 -","- C98 H74 Cl2 N4 O8 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Yang, Ren-Yin; Zhao, Ru-Fang; Wang, Yang; Sun, Jing; Yan, Chao-Guo","DDQ dehydrogenative Diels‒Alder reaction for the synthesis of functionalized spiro[carbazole-1,3′-indolines] and spiro[carbazole-1,5′-pyrimidines]","New Journal of Chemistry","2021","45","34","15423","15428","10.1039/D1NJ02836G","","","0.71073","MoKα","","0.1978","0.0749","","","0.1648","0.2031","","","","","","1.034","","","","has coordinates","268901","2021-09-06","12:15:22",""
"7060853","14.9965","0.0003","13.1054","0.0002","17.7644","0.0003","90","","109.788","0.0007","90","","3285.17","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23.81 B0.81 Br3 N4 O1.63 Zn -","- C31 H23.817 B0.817 Br3 N4 O1.634 Zn -","- C124 H95.268 B3.268 Br12 N16 O6.536 Zn4 -","4","1","","Ortega-Valdovinos, Luis Ramón; Valdes-García, Josue; Bazany-Rodríguez, Iván J.; Lugo-González, José Carlos; Dorazco-González, Alejandro; Yatsimirsky, Anatoly K.","Anion recognition by anthracene appended ortho-aminomethylphenylboronic acid: a new PET-based sensing mechanism","New Journal of Chemistry","2021","45","34","15618","15628","10.1039/D1NJ02684D","","","1.54178","CuKα","","0.077","0.0747","","","0.227","0.2299","","","","","","1.067","","","","has coordinates,has disorder","268902","2021-09-06","12:15:31",""
"7060854","11.8967","0.0003","13.6816","0.0003","22.4595","0.0005","90","","98.2926","0.001","90","","3617.42","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Br5 N4 O S Zn2 -","- C33 H29 Br5 N4 O S Zn2 -","- C132 H116 Br20 N16 O4 S4 Zn8 -","4","1","","Ortega-Valdovinos, Luis Ramón; Valdes-García, Josue; Bazany-Rodríguez, Iván J.; Lugo-González, José Carlos; Dorazco-González, Alejandro; Yatsimirsky, Anatoly K.","Anion recognition by anthracene appended ortho-aminomethylphenylboronic acid: a new PET-based sensing mechanism","New Journal of Chemistry","2021","45","34","15618","15628","10.1039/D1NJ02684D","","","1.54178","CuKα","","0.0458","0.0446","","","0.1166","0.1175","","","","","","1.048","","","","has coordinates,has disorder","268902","2021-09-06","12:15:32",""
"7060855","10.26472","0.00019","9.99397","0.00019","10.8624","0.0002","90","","92.0775","0.0017","90","","1113.59","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N O11 -","- C19 H27 N O11 -","- C38 H54 N2 O22 -","2","1","","Sosa-Gil, Concepción; Babiano, Reyes; Cintas, Pedro; Light, Mark E.; Palacios, Juan C.","On the anomeric preference of the isothiocyanato group","New Journal of Chemistry","2021","45","31","14111","14125","10.1039/D1NJ00852H","","x-ray","0.71073","MoKα","K-L~3~","0.0316","0.03","","","0.0758","0.0769","","","","","","1.026","","","","has coordinates,has disorder","268897","2021-09-06","12:14:44",""
"7060856","7.6274","0.0004","9.1304","0.0005","10.6185","0.0007","92.663","0.007","99.327","0.007","90.796","0.006","728.75","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H15 N O7 S -","- C12 H15 N O7 S -","- C24 H30 N2 O14 S2 -","2","2","","Sosa-Gil, Concepción; Babiano, Reyes; Cintas, Pedro; Light, Mark E.; Palacios, Juan C.","On the anomeric preference of the isothiocyanato group","New Journal of Chemistry","2021","45","31","14111","14125","10.1039/D1NJ00852H","","x-ray","0.71075","MoKα","K-L~3~","0.0368","0.0349","","","0.0886","0.0905","","","","","","1.046","","","","has coordinates","268897","2021-09-06","12:14:44",""
"7060857","10.321","0.007","16.443","0.011","23.688","0.016","90","","90.46","0.008","90","","4020","5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(9-ethyl-9H-carbazol-3-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione","","- C26 H18 N2 O2 -","- C26 H18 N2 O2 -","- C208 H144 N16 O16 -","8","2","","Saha, Shrabani; Das, Sujoy; Sarkar, Olivia; Chattopadhyay, Ansuman; Rissanen, Kari; Sahoo, Prithidipa","Introduction of a luminescent sensor for tracking trace levels of hydrazine in insect pollinated cropland flowers","New Journal of Chemistry","2021","45","37","17095","17100","10.1039/D1NJ02661E","","","0.71073","MoKα","","0.1337","0.0552","","","0.0979","0.1269","","","","","","1.044","","","","has coordinates","269744","2021-10-06","16:00:49",""
"7060858","21.27","0.002","12.2947","0.0012","14.7085","0.0012","90","","97.489","0.003","90","","3813.6","0.6","297.2","","297.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 N4 O10 Zn -","- C42 H32 N4 O10 Zn -","- C168 H128 N16 O40 Zn4 -","4","0.5","","Zhang, Heyi; He, Fangyuan; Li, Xiaonan; Wang, Zhihui; Zhang, Hong","A smart sensing Zn(ii) coordination polymer based on a new viologen ligand exhibiting photochromic and thermochromic and multiple solid detection properties","New Journal of Chemistry","2021","45","35","15851","15856","10.1039/D1NJ03141D","","","0.71073","MoKα","","0.0541","0.0376","","","0.0863","0.0938","","","","","","1.053","","","","has coordinates","269758","2021-10-06","16:04:07",""
"7060859","18.6136","0.0006","7.44583","0.00019","19.8695","0.0007","90","","113.068","0.004","90","","2533.6","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ni(ThioSalEn)]","","- C12 H10 N2 Ni O2 S2 -","- C12 H10 N2 Ni O2 S2 -","- C96 H80 N16 Ni8 O16 S16 -","8","2","","Lukyanov, Daniil A.; Vereshchagin, Anatoliy A.; Sizov, Vladimir V.; Kalnin, Arseniy Y.; Novoselova, Julia V.; Alekseeva, Elena V.; Levin, Oleg V.","Non-sterical stabilization of one-electron-oxidized NiSalen complex by thiophene core","New Journal of Chemistry","2021","45","32","14425","14431","10.1039/D1NJ02443D","","","0.71073","MoKα","","0.0394","0.0333","","","0.0815","0.0854","","","","","","1.109","","","","has coordinates","268863","2021-09-06","12:01:57",""
"7060860","20.0038","0.0009","10.8076","0.0004","12.432","0.0005","90","","109.818","0.001","90","","2528.53","0.18","","","295.4","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.24 H1.6 N0.48 O0.48 -","- C2.24 H1.6 N0.48 O0.48 -","- C112 H80 N24 O24 -","50","6.25","","Yadav, Priyanka; Awasthi, Satish K.","Probing the catalytic activity of highly efficient sulfonic acid fabricated cobalt ferrite magnetic nanoparticles for the clean and scalable synthesis of dihydro, spiro and bis quinazolinones","New Journal of Chemistry","2021","45","35","15928","15941","10.1039/D1NJ01149A","","","0.71073","MoKα","","0.1247","0.0811","","","0.2319","0.2802","","","","","","1.3032","","","","has coordinates","269750","2021-10-06","16:02:34",""
"7060861","10.223","0.008","11.333","0.012","21.64","0.02","90","","90","","90","","2507","4","","","119.98","","","","","","","","","4","P 1","P 1","1","","","","- C2.24 H2.92 N0.32 O0.16 -","- C2.24 H2.92 N0.32 O0.16 -","- C112 H146 N16 O8 -","50","50","","Yadav, Priyanka; Awasthi, Satish K.","Probing the catalytic activity of highly efficient sulfonic acid fabricated cobalt ferrite magnetic nanoparticles for the clean and scalable synthesis of dihydro, spiro and bis quinazolinones","New Journal of Chemistry","2021","45","35","15928","15941","10.1039/D1NJ01149A","","","0.71073","MoKα","","0.2422","0.1484","","","0.3604","0.4592","","","","","","1.3427","","","","has coordinates","269750","2021-10-06","16:02:35",""
"7060862","11.4897","0.0002","7.4915","0.0001","20.1739","0.0004","90","","104.029","0.002","90","","1684.68","0.05","179.99","0.1","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 F N O3 S -","- C19 H16 F N O3 S -","- C76 H64 F4 N4 O12 S4 -","4","1","","Sun, Jianguo; Wang, Taimin; Zhu, Xuecheng; Xu, Wei; Cheng, Bin; Zhai, Hongbin","Synthesis of thiazolidin-4-ones from α-enolic dithioesters and α-halohydroxamates","New Journal of Chemistry","2021","45","32","14508","14512","10.1039/D1NJ01970H","","","1.54184","CuKα","","0.0573","0.0556","","","0.1443","0.1454","","","","","","1.091","","","","has coordinates","268865","2021-09-06","12:02:18",""
"7060863","22.5345","0.0018","7.6383","0.0006","14.4857","0.0012","90","","108.381","0.002","90","","2366.1","0.3","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","","Guria, Uday Narayan; Manna, Saikat Kumar; Maiti, Kalipada; Samanta, Sandip Kumar; Ghosh, Aritri; Datta, Pallab; Mandal, Debasish; Mahapatra, Ajit Kumar","A xanthene-based novel colorimetric and fluorometric chemosensor for the detection of hydrazine and its application in the bio-imaging of live cells","New Journal of Chemistry","2021","45","35","15869","15875","10.1039/D1NJ02943F","","","0.71073","MoKα","","0.0753","0.0616","","","0.1624","0.1813","","","","","","1.029","","","","has coordinates","269759","2021-10-06","16:04:12",""
"7060864","15.3812","0.0004","7.969","0.0005","28.6691","0.0009","90","","90","","90","","3514.1","0.3","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C36 H40 N Ni S4 -","- C36 H40 N Ni S4 -","- C144 H160 N4 Ni4 S16 -","4","0.5","","Singh, Ayushi; Singh, Amita; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Singh, Ashish Kumar; Kumar, Abhinav; Muddassir, Mohd.","Ni(ii) dithiolate anion composites with two-dimensional materials for electrochemical oxygen evolution reactions (OERs)","New Journal of Chemistry","2021","45","35","16264","16270","10.1039/D1NJ02644E","","","0.71073","MoKα","","0.1266","0.0895","","","0.2391","0.2688","","","","","","1.042","","","","has coordinates,has disorder","269760","2021-10-06","16:04:18",""
"7060865","11.1457","0.0002","19.5658","0.0003","12.5717","0.0002","90","","90","","90","","2741.57","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C112 H168 N8 O32 -","8","2","","Fraňová, Paula; Marchalín, Štefan; Šafář, Peter; Cvečko, Matej; Moncol, Ján; Žídeková, Ivana; Othman, Mohamed; Daïch, Adam","Smart and concise entry to chiral spiro[cyclopentane-indolizidine]-tetraol diastereomers as a new aza-spirocyclic framework","New Journal of Chemistry","2021","45","35","15956","15967","10.1039/D1NJ02180J","","","1.54186","CuKα","","0.0359","0.0336","","","0.0843","0.0861","","","","","","1.027","","","","has coordinates","269753","2021-10-06","16:03:10",""
"7060866","6.5826","0.0002","9.0483","0.0001","16.3477","0.0004","90","","98.638","0.002","90","","962.65","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O6 -","- C20 H29 N O6 -","- C40 H58 N2 O12 -","2","1","","Fraňová, Paula; Marchalín, Štefan; Šafář, Peter; Cvečko, Matej; Moncol, Ján; Žídeková, Ivana; Othman, Mohamed; Daïch, Adam","Smart and concise entry to chiral spiro[cyclopentane-indolizidine]-tetraol diastereomers as a new aza-spirocyclic framework","New Journal of Chemistry","2021","45","35","15956","15967","10.1039/D1NJ02180J","","","1.54186","CuKα","","0.0903","0.0893","","","0.2453","0.2477","","","","","","1.165","","","","has coordinates","269753","2021-10-06","16:03:10",""
"7060867","3.8262","0.0006","15.078","0.002","21.19","0.003","90","","92.423","0.002","90","","1221.4","0.3","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Xochicale-Santana, Leonardo; López-Espejel, Margarita; Jiménez-Pérez, Víctor M.; Lara-Cerón, Jesús; Gómez-Treviño, Alberto; Waksman, Noemí; Dias, H. V. Rasika; Muñoz-Flores, Blanca M.","Green synthesis of fluorescent Schiff bases: chemo-photophysical characterization, X-ray structures, and their bioimaging","New Journal of Chemistry","2021","45","37","17183","17189","10.1039/D1NJ02875H","","","0.71073","MoKα","","0.0478","0.0438","","","0.1197","0.125","","","","","","1.05","","","","has coordinates","269738","2021-10-06","15:59:58",""
"7060868","8.0487","0.0007","14.0919","0.0012","15.0169","0.0013","111.429","0.002","101.274","0.003","94.147","0.003","1535.5","0.2","99.99","","99.99","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","2","","Xochicale-Santana, Leonardo; López-Espejel, Margarita; Jiménez-Pérez, Víctor M.; Lara-Cerón, Jesús; Gómez-Treviño, Alberto; Waksman, Noemí; Dias, H. V. Rasika; Muñoz-Flores, Blanca M.","Green synthesis of fluorescent Schiff bases: chemo-photophysical characterization, X-ray structures, and their bioimaging","New Journal of Chemistry","2021","45","37","17183","17189","10.1039/D1NJ02875H","","","0.71073","MoKα","","0.0596","0.0526","","","0.1365","0.1434","","","","","","1.042","","","","has coordinates,has disorder","269738","2021-10-06","15:59:59",""
"7060869","8.003","0.0002","11.3382","0.0003","12.9419","0.0003","90","","106.882","0.002","90","","1123.73","0.05","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Br N S2 -","- C10 H8 Br N S2 -","- C40 H32 Br4 N4 S8 -","4","1","","Farran, Daniel; Vanthuyne, Nicolas; Bossa, Giulia; Belot, Vincent; Albalat, Muriel; Jean, Marion; Roussel, Christian","Slight structural modulation around a pivotal bond: high impact on enantiomeric stability","New Journal of Chemistry","2021","45","35","16039","16047","10.1039/D1NJ03178C","","x-ray","1.54184","CuKα","","0.0443","0.0402","","","0.1105","0.1155","","","","","","1.029","","","","has coordinates","269752","2021-10-06","16:03:01",""
"7060870","7.4983","0.0001","7.8011","0.0002","21.5964","0.0003","90","","90","","90","","1263.28","0.04","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N S Se -","- C12 H10 Br N S Se -","- C48 H40 Br4 N4 S4 Se4 -","4","1","","Farran, Daniel; Vanthuyne, Nicolas; Bossa, Giulia; Belot, Vincent; Albalat, Muriel; Jean, Marion; Roussel, Christian","Slight structural modulation around a pivotal bond: high impact on enantiomeric stability","New Journal of Chemistry","2021","45","35","16039","16047","10.1039/D1NJ03178C","","x-ray","1.54184","CuKα","","0.0257","0.0243","","","0.0611","0.0621","","","","","","1.072","","","","has coordinates","269752","2021-10-06","16:03:03",""
"7060871","7.39679","0.00007","7.70635","0.00007","21.7345","0.0002","90","","90","","90","","1238.92","0.02","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N S2 -","- C12 H10 Br N S2 -","- C48 H40 Br4 N4 S8 -","4","1","","Farran, Daniel; Vanthuyne, Nicolas; Bossa, Giulia; Belot, Vincent; Albalat, Muriel; Jean, Marion; Roussel, Christian","Slight structural modulation around a pivotal bond: high impact on enantiomeric stability","New Journal of Chemistry","2021","45","35","16039","16047","10.1039/D1NJ03178C","","x-ray","1.54184","CuKα","","0.021","0.0208","","","0.0546","0.0548","","","","","","1.095","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7060872","11.528","0.0001","7.7855","0.0001","15.4344","0.0002","90","","92.997","0.001","90","","1383.36","0.03","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 Br N S2 -","- C13 H12 Br N S2 -","- C52 H48 Br4 N4 S8 -","4","2","","Farran, Daniel; Vanthuyne, Nicolas; Bossa, Giulia; Belot, Vincent; Albalat, Muriel; Jean, Marion; Roussel, Christian","Slight structural modulation around a pivotal bond: high impact on enantiomeric stability","New Journal of Chemistry","2021","45","35","16039","16047","10.1039/D1NJ03178C","","x-ray","1.54184","CuKα","","0.0339","0.0332","","","0.093","0.0941","","","","","","1.037","","","","has coordinates,has disorder","269752","2021-10-06","16:03:03",""
"7060873","21.825","0.0009","7.6024","0.0004","19.0583","0.0011","90","","109.789","0.005","90","","2975.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N O7 Tb -","- C36 H24 N O7 Tb -","- C144 H96 N4 O28 Tb4 -","4","1","","An, Shuyi; Guo, Zhifen; Liu, Xin; Che, Yan; Xing, Hongzhu; Chen, Peng","Visible-light-responsive lanthanide coordination polymers for highly efficient photocatalytic aerobic oxidation of amines and thiols","New Journal of Chemistry","2021","45","35","15767","15775","10.1039/D1NJ02416G","","","0.71073","MoKα","","0.0816","0.0499","","","0.0764","0.0874","","","","","","1.049","","","","has coordinates,has disorder","269757","2021-10-06","16:04:01",""
"7060874","21.6856","0.0005","7.62484","0.00019","19.0898","0.0005","90","","109.625","0.003","90","","2973.13","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Ho N O7 -","- C36 H24 Ho N O7 -","- C144 H96 Ho4 N4 O28 -","4","1","","An, Shuyi; Guo, Zhifen; Liu, Xin; Che, Yan; Xing, Hongzhu; Chen, Peng","Visible-light-responsive lanthanide coordination polymers for highly efficient photocatalytic aerobic oxidation of amines and thiols","New Journal of Chemistry","2021","45","35","15767","15775","10.1039/D1NJ02416G","","","0.71073","MoKα","","0.0625","0.0425","","","0.0758","0.0835","","","","","","1.075","","","","has coordinates,has disorder","269757","2021-10-06","16:04:02",""
"7060875","21.5768","0.0005","7.64833","0.00019","19.1013","0.0005","90","","109.566","0.003","90","","2970.2","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N O7 Yb -","- C36 H24 N O7 Yb -","- C144 H96 N4 O28 Yb4 -","4","1","","An, Shuyi; Guo, Zhifen; Liu, Xin; Che, Yan; Xing, Hongzhu; Chen, Peng","Visible-light-responsive lanthanide coordination polymers for highly efficient photocatalytic aerobic oxidation of amines and thiols","New Journal of Chemistry","2021","45","35","15767","15775","10.1039/D1NJ02416G","","","0.71073","MoKα","","0.0525","0.0341","","","0.0539","0.0595","","","","","","1.058","","","","has coordinates,has disorder","269757","2021-10-06","16:04:02",""
"7060876","9.3963","0.0003","15.9698","0.0005","29.1157","0.0008","89.054","0.002","85.936","0.002","74.224","0.002","4193.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Nd(L)3(EtOH)2]","","","- C46 H36 F9 Nd O8 -","- C46 H36 F9 Nd O8 -","- C184 H144 F36 Nd4 O32 -","4","2","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","","0.71073","MoKα","","0.0701","0.0532","","","0.1229","0.1331","","","","","","1.037","","","","has coordinates","268866","2021-09-06","12:02:36",""
"7060877","20.2134","0.0006","11.8811","0.0004","19.6033","0.0006","90","","90","","90","","4707.9","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[NdL3(5,5'-Me2bipy)]","","","- C54 H36 F9 N2 Nd O6 -","- C54 H36 F9 N2 Nd O6 -","- C216 H144 F36 N8 Nd4 O24 -","4","1","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","","0.71073","MoKα","","0.0386","0.0302","","","0.0613","0.0648","","","","","","0.938","","","","has coordinates,has disorder","268866","2021-09-06","12:02:41",""
"7060878","11.1855","0.0005","23.2671","0.0008","17.8776","0.0006","90","","97.036","0.002","90","","4617.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Nd(L)3(bipy)]","","","- C52 H32 F9 N2 Nd O6 -","- C52 H32 F9 N2 Nd O6 -","- C208 H128 F36 N8 Nd4 O24 -","4","1","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","","0.71073","MoKα","","0.0546","0.0356","","","0.063","0.0687","","","","","","1.03","","","","has coordinates","268866","2021-09-06","12:02:43",""
"7060879","13.2116","0.0003","14.6432","0.0004","24.8311","0.0006","90","","98.898","0.001","90","","4746","0.2","99.99","","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Nd(L)3(4,4'-dimethoxy-bipy)]","","","- C54 H36 F9 N2 Nd O8 -","- C54 H36 F9 N2 Nd O8 -","- C216 H144 F36 N8 Nd4 O32 -","4","1","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","x-ray","0.71073","MoKα","","0.0475","0.0342","","","0.0593","0.0638","","","","","","1.054","","","","has coordinates","268866","2021-09-06","12:02:46",""
"7060880","9.6987","0.0004","12.5344","0.0005","21.2378","0.0009","88.967","0.002","82.251","0.003","72.708","0.002","2441.96","0.18","100","2","100","","","","","","","","","6","P -1","-P 1","2","[Nd(L)3(phen)]","","","- C55 H35 F9 N2 Nd O6.5 -","- C54 H32 F9 N2 Nd O6 -","- C108 H64 F18 N4 Nd2 O12 -","2","1","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","","0.71073","MoKα","","0.0593","0.0397","","","0.0787","0.0859","","","","","","1.031","","","","has coordinates,has disorder","268866","2021-09-06","12:02:46",""
"7060881","16.0334","0.0006","12.1038","0.0004","23.9698","0.0009","90","","102.218","0.002","90","","4546.3","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Nd(ntfa)3(phen)]","","","- C54 H32 F9 N2 Nd O6 -","- C54 H32 F9 N2 Nd O6 -","- C216 H128 F36 N8 Nd4 O24 -","4","1","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","","0.71073","MoKα","","0.0795","0.0436","","","0.0677","0.0796","","","","","","1.049","","","","has coordinates,has disorder","268866","2021-09-06","12:02:46",""
"7060884","8.3009","0.0002","13.1441","0.0002","15.0336","0.0003","90.047","0.001","91.37","0.001","99.324","0.001","1618.13","0.06","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H27 Cl2 Cu N5 O5 -","- C37 H27 Cl2 Cu N5 O5 -","- C74 H54 Cl4 Cu2 N10 O10 -","2","1","","Shaikh, Sabiha A.; Bhat, Satish S.; Hegde, Pooja L.; Revankar, Vidyanand K.; Kate, Anup; Kirtani, Deepti; Kumbhar, Anupa A.; Kumbar, Vijay; Bhat, Kishore","Synthesis, structural characterization, protein binding, DNA cleavage and anticancer activity of fluorophore labelled copper(ii) complexes based on 1,8-naphthalimide conjugates","New Journal of Chemistry","2021","45","35","16319","16332","10.1039/D1NJ02696H","","","0.71073","MoKα","","0.0856","0.0491","","","0.1063","0.1196","","","","","","1.048","","","","has coordinates","269754","2021-10-06","16:03:18",""
"7060885","9.8396","0.0003","14.4614","0.0005","17.5182","0.0005","90","","95.273","0.002","90","","2482.19","0.13","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 Cl2 Cu N4 O2 -","- C29 H18 Cl2 Cu N4 O2 -","- C116 H72 Cl8 Cu4 N16 O8 -","4","1","","Shaikh, Sabiha A.; Bhat, Satish S.; Hegde, Pooja L.; Revankar, Vidyanand K.; Kate, Anup; Kirtani, Deepti; Kumbhar, Anupa A.; Kumbar, Vijay; Bhat, Kishore","Synthesis, structural characterization, protein binding, DNA cleavage and anticancer activity of fluorophore labelled copper(ii) complexes based on 1,8-naphthalimide conjugates","New Journal of Chemistry","2021","45","35","16319","16332","10.1039/D1NJ02696H","","","0.71073","MoKα","","0.0769","0.041","","","0.0827","0.0949","","","","","","0.983","","","","has coordinates","269754","2021-10-06","16:03:28",""
"7060886","28.45","0.06","5","0.01","24.77","0.06","90","","108.16","0.05","90","","3348","13","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C160 H128 O40 -","8","1","","Sharma, Suraj; Sarma, Bipul; Baishya, Gakul","Direct synthesis of 4-hydroxycoumarins and 4-hydroxy-6-methyl-2-pyrone containing chroman-4-ones via a silver catalyzed radical cascade cyclization reaction","New Journal of Chemistry","2021","45","34","15475","15486","10.1039/D1NJ03437E","","","0.71073","MoKα","","0.0966","0.0554","","","0.0928","0.101","","","","","","1.454","","","","has coordinates","268899","2021-09-06","12:15:07",""
"7060887","11.3299","0.0003","7.9601","0.0002","35.2801","0.0008","90","","98.177","0.001","90","","3149.46","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N3 O2 P Pd -","- C38 H32 N3 O2 P Pd -","- C152 H128 N12 O8 P4 Pd4 -","4","1","","Anandaraj, Pennamuthiriyan; Ramesh, Rengan; Kumaradhas, Poomani","Palladium(ii) N,N,O-pincer type complex-mediated dehydrogenative coupling of alcohols to quinazolines","New Journal of Chemistry","2021","45","36","16572","16580","10.1039/D1NJ03146E","","x-ray","0.71073","MoKα","","0.0394","0.0357","","","0.0727","0.074","","","","","","1.23","","","","has coordinates","269745","2021-10-06","16:01:40",""
"7060888","11.6578","0.0004","12.3412","0.0005","13.2461","0.0005","112.131","0.001","97.309","0.001","99.997","0.001","1699.33","0.11","296","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H31 Cl3 N3 O P Pd -","- C38 H31 Cl3 N3 O P Pd -","- C76 H62 Cl6 N6 O2 P2 Pd2 -","2","1","","Anandaraj, Pennamuthiriyan; Ramesh, Rengan; Kumaradhas, Poomani","Palladium(ii) N,N,O-pincer type complex-mediated dehydrogenative coupling of alcohols to quinazolines","New Journal of Chemistry","2021","45","36","16572","16580","10.1039/D1NJ03146E","","x-ray","0.71073","MoKα","","0.0349","0.0295","","","0.0754","0.0779","","","","","","0.983","","","","has coordinates","269745","2021-10-06","16:01:40",""
"7060889","8.0138","0.0004","28.7538","0.0015","10.6307","0.0006","90","","90","","90","","2449.6","0.2","100","2","99.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H18 Ag F5 N4 O3 S -","- C25 H18 Ag F5 N4 O3 S -","- C100 H72 Ag4 F20 N16 O12 S4 -","4","0.5","","Adeleke, Adesola A.; Islam, Md. Shahidul; Olofinsan, Kolawole; Salau, Veronica F.; Mocktar, Chunderika; Omondi, Bernard","Evaluation of substituent bioactivity and anion impact of linear and T-shaped silver(i) pyridinyl complexes as potential antiproliferative, antioxidant, antimicrobial agents and DNA- and BSA-binders","New Journal of Chemistry","2021","45","38","17827","17846","10.1039/D1NJ03231C","","x-ray","0.71073","MoKα","","0.0274","0.0236","","","0.0548","0.0568","","","","","","1.079","","","","has coordinates,has disorder","269767","2021-10-06","16:06:25",""
"7060890","8.9646","0.001","10.5726","0.0011","14.9137","0.0016","94.308","0.005","92.163","0.005","108.886","0.004","1330.7","0.3","293","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52 Ag2 F6 N8 O6 S2 -","- C54 H48 Ag2 F6 N8 O6 S2 -","- C54 H48 Ag2 F6 N8 O6 S2 -","1","0.5","","Adeleke, Adesola A.; Islam, Md. Shahidul; Olofinsan, Kolawole; Salau, Veronica F.; Mocktar, Chunderika; Omondi, Bernard","Evaluation of substituent bioactivity and anion impact of linear and T-shaped silver(i) pyridinyl complexes as potential antiproliferative, antioxidant, antimicrobial agents and DNA- and BSA-binders","New Journal of Chemistry","2021","45","38","17827","17846","10.1039/D1NJ03231C","","","0.71073","MoKα","","0.0354","0.0287","","","0.0652","0.0709","","","","","","0.968","","","","has coordinates","269767","2021-10-06","16:06:25",""
"7060891","9.9431","0.0006","11.0069","0.0007","11.3978","0.0007","79.67","0.003","84.395","0.003","86.477","0.004","1220.09","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 Ag2 Cl2 N12 O8 -","- C52 H50 Ag2 Cl2 N8 O8 -","- C52 H50 Ag2 Cl2 N8 O8 -","1","0.5","","Adeleke, Adesola A.; Islam, Md. Shahidul; Olofinsan, Kolawole; Salau, Veronica F.; Mocktar, Chunderika; Omondi, Bernard","Evaluation of substituent bioactivity and anion impact of linear and T-shaped silver(i) pyridinyl complexes as potential antiproliferative, antioxidant, antimicrobial agents and DNA- and BSA-binders","New Journal of Chemistry","2021","45","38","17827","17846","10.1039/D1NJ03231C","","","0.71073","MoKα","","0.0411","0.0329","","","0.0774","0.082","","","","","","1.019","","","","has coordinates","269767","2021-10-06","16:06:25",""
"7060892","16.7725","0.0015","6.7506","0.0006","23.793","0.002","90","","105.66","0.005","90","","2594","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Ag F3 N4 O3.5 S3 -","- C26 H19 Ag F3 N4 O3.5 S3 -","- C104 H76 Ag4 F12 N16 O14 S12 -","4","1","","Adeleke, Adesola A.; Islam, Md. Shahidul; Olofinsan, Kolawole; Salau, Veronica F.; Mocktar, Chunderika; Omondi, Bernard","Evaluation of substituent bioactivity and anion impact of linear and T-shaped silver(i) pyridinyl complexes as potential antiproliferative, antioxidant, antimicrobial agents and DNA- and BSA-binders","New Journal of Chemistry","2021","45","38","17827","17846","10.1039/D1NJ03231C","","x-ray","0.71073","MoKα","","0.0435","0.0316","","","0.0793","0.0874","","","","","","1.032","","","","has coordinates,has disorder","269767","2021-10-06","16:06:25",""
"7060893","9.8582","0.0004","17.8425","0.0007","22.8923","0.0011","90","","90","","90","","4026.6","0.3","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C6 H21 Cl3 F6.13 N O3 P Ru S3 -","- C6 H21 Cl3 F6.126 N O3 P Ru S3 -","- C48 H168 Cl24 F49.008 N8 O24 P8 Ru8 S24 -","8","1","","Trivedi, Manoj; Dubey, Santosh Kumar; Kaur, Gurmeet; Rath, Nigam P.","Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions","New Journal of Chemistry","2021","45","37","17339","17346","10.1039/D1NJ03041H","","","0.71073","MoKα","","0.1058","0.0695","","","0.1394","0.1529","","","","","","1.25","","","","has coordinates,has disorder","269740","2021-10-06","16:00:23",""
"7060894","13.6347","0.0003","10.9933","0.0002","11.307","0.0002","90","","90","","90","","1694.81","0.06","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C8 H21 Cl2 N O3 Ru S3 -","- C8 H21 Cl2 N O3 Ru S3 -","- C32 H84 Cl8 N4 O12 Ru4 S12 -","4","1","","Trivedi, Manoj; Dubey, Santosh Kumar; Kaur, Gurmeet; Rath, Nigam P.","Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions","New Journal of Chemistry","2021","45","37","17339","17346","10.1039/D1NJ03041H","","","0.71073","MoKα","","0.0263","0.0246","","","0.0609","0.062","","","","","","0.966","","","","has coordinates","269740","2021-10-06","16:00:23",""
"7060895","11.661","0.002","8.5427","0.0016","15.357","0.003","90","","109.46","0.02","90","","1442.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl2 N2 O2 Ru S2 -","- C6 H18 Cl2 N2 O2 Ru S2 -","- C24 H72 Cl8 N8 O8 Ru4 S8 -","4","1","","Trivedi, Manoj; Dubey, Santosh Kumar; Kaur, Gurmeet; Rath, Nigam P.","Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions","New Journal of Chemistry","2021","45","37","17339","17346","10.1039/D1NJ03041H","","","0.71073","MoKα","","0.0721","0.0656","","","0.1867","0.193","","","","","","1.195","","","","has coordinates","269740","2021-10-06","16:00:23",""
"7060896","14.6135","0.0007","8.3808","0.0004","31.815","0.001","90","","91.948","0.004","90","","3894.2","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl4 N6 O20 -","- C28 H46 Cl4 N6 O20 -","- C112 H184 Cl16 N24 O80 -","4","1","","Bartoli, Francesco; Conti, Luca; Romano, Giammarco Maria; Massai, Lara; Paoli, Paola; Rossi, Patrizia; Pietraperzia, Giangaetano; Gellini, Cristina; Bencini, Andrea","Protonation of cyclen-based chelating agents containing fluorescent moieties","New Journal of Chemistry","2021","45","36","16926","16938","10.1039/D1NJ03539H","","","0.71073","MoKα","","0.1541","0.0994","","","0.1695","0.1911","","","","","","1.126","","","","has coordinates,has disorder","269748","2021-10-06","16:02:09",""
"7060897","11.3598","0.0004","28.889","0.0008","10.916","0.0003","90","","100.708","0.001","90","","3519.96","0.19","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 Cl Cu2 N4 O15 -","- C31 H37 Cl Cu2 N4 O15 -","- C124 H148 Cl4 Cu8 N16 O60 -","4","1","","Yao, Guang-Xu; Li, Peng; Zhang, Jin-Qiang; Wang, Li; Liu, Hui; Dong, Wen-Kui","A highly efficient yet stable salamo-type fluorescent chemosensor with multiple responses to Cu2+ and S2−","New Journal of Chemistry","2021","45","37","17347","17355","10.1039/D1NJ02763H","","","0.71073","MoKα","","0.096","0.0694","","","0.161","0.1774","","","","","","1.069","","","","has coordinates,has disorder","269743","2021-10-06","16:00:44",""
"7060898","9.936","0.001","17.6315","0.0017","21.705","0.002","90","","90","","90","","3802.4","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H26 Cl Co N3 O7 -","- C15 H26 Cl Co N3 O7 -","- C120 H208 Cl8 Co8 N24 O56 -","8","1","","Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath","Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study","New Journal of Chemistry","2021","45","35","16019","16029","10.1039/D1NJ01150B","","","0.71073","MoKα","","0.0608","0.0418","","","0.1186","0.1325","","","","","","0.9584","","","","has coordinates","269751","2021-10-06","16:02:48",""
"7060899","10.402","0.0004","8.6849","0.0003","22.0247","0.0008","90","","92.642","0.001","90","","1987.6","0.13","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Cl Cu N4 O6 -","- C16 H25 Cl Cu N4 O6 -","- C64 H100 Cl4 Cu4 N16 O24 -","4","1","","Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath","Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study","New Journal of Chemistry","2021","45","35","16019","16029","10.1039/D1NJ01150B","","","0.71073","MoKα","","0.0436","0.0379","","","0.0876","0.0921","","","","","","1.077","","","","has coordinates","269751","2021-10-06","16:02:50",""
"7060900","9.8845","0.0005","17.5819","0.0009","21.6657","0.0011","90","","90","","90","","3765.2","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H26 Cl N3 Ni O7 -","- C15 H26 Cl N3 Ni O7 -","- C120 H208 Cl8 N24 Ni8 O56 -","8","1","","Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath","Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study","New Journal of Chemistry","2021","45","35","16019","16029","10.1039/D1NJ01150B","","","0.71073","MoKα","","0.0372","0.0296","","","0.1053","0.1133","","","","","","0.9199","","","","has coordinates","269751","2021-10-06","16:02:52",""
"7060901","10.0781","0.0003","17.6611","0.0005","21.6437","0.0006","90","","90","","90","","3852.37","0.19","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H26 Cl Mn N3 O7 -","- C15 H26 Cl Mn N3 O7 -","- C120 H208 Cl8 Mn8 N24 O56 -","8","1","","Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath","Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study","New Journal of Chemistry","2021","45","35","16019","16029","10.1039/D1NJ01150B","","","0.71073","MoKα","","0.0348","0.0295","","","0.0691","0.0735","","","","","","1.0675","","","","has coordinates","269751","2021-10-06","16:02:52",""
"7060902","6.424","0.005","12.641","0.005","12.76","0.005","97.737","0.005","103.106","0.005","94.789","0.005","993","1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H34 N4 O6 -","- C48 H34 N4 O6 -","- C48 H34 N4 O6 -","1","1","","Bao, Changjiang; Li, Yanwei; Li, Yanhui; Si, Zhenjun; Zhang, Yanru; Chen, Changshun; Wang, Lei; Duan, Qian","A series of asymmetric and symmetric porphyrin derivatives: one-pot synthesis, nonlinear optical and optical limiting properties","New Journal of Chemistry","2021","45","35","16030","16038","10.1039/D1NJ02632A","","","0.71073","MoKα","","0.1334","0.0735","","","0.183","0.2207","","","","","","1.027","","","","has coordinates","269761","2021-10-06","16:04:23",""
"7060903","15.149","0.005","7.696","0.003","19.735","0.006","90","","104.073","0.008","90","","2231.8","1.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,6-dimethoxy-6b,10,10-trimethyl-3-phenyl-3,6b,7,8,9,10-hexahydro-1H-indeno[1,2,3-de]isochromene","","","- C26 H30 O3 -","- C26 H30 O3 -","- C104 H120 O12 -","4","1","","Satish, Nagam; Raju, Siruvuri Krishnam; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula","The synthesis of indeno[de]isochromene derivatives from arylvinyl epoxides and carbonyl compounds via tandem Nazarov and oxa-Pictet–Spengler cyclizations","New Journal of Chemistry","2021","45","35","16248","16253","10.1039/D1NJ03654H","","","0.71073","MoKα","","0.0672","0.0533","","","0.1311","0.1427","","","","","","1.084","","","","has coordinates,has disorder","269755","2021-10-06","16:03:38",""
"7060904","12.435","0.008","10.019","0.007","15.766","0.01","90","","100.344","0.009","90","","1932","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,8-dimethoxy-4,5,5-trimethyl-3-(p-tolyl)-3,5-dihydro-1H-cyclopenta[de]isochromene","","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Satish, Nagam; Raju, Siruvuri Krishnam; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula","The synthesis of indeno[de]isochromene derivatives from arylvinyl epoxides and carbonyl compounds via tandem Nazarov and oxa-Pictet–Spengler cyclizations","New Journal of Chemistry","2021","45","35","16248","16253","10.1039/D1NJ03654H","","","0.71073","MoKα","","0.0899","0.0609","","","0.1485","0.1696","","","","","","1.04","","","","has coordinates","269755","2021-10-06","16:03:48",""
"7060905","9.854","0.0005","12.4096","0.0009","13.1516","0.0006","64.575","0.006","71.386","0.005","85.694","0.005","1372.88","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32.5 N3 O4 Si -","- C30 H32.5 N3 O4 Si -","- C60 H65 N6 O8 Si2 -","2","1","","Singh, Gurjaspreet; Sharma, Sanjay; Singh, Akshpreet; Kaur, Ranjeet; Pawan,; Mohit,; Rana, Shweta; Sahoo, Subash Chandra; Kaur, Amarjit","The first report of X-ray characterized organosilatrane-based receptors for the electrochemical analysis of Al3+ ions","New Journal of Chemistry","2021","45","35","16083","16091","10.1039/D1NJ02893F","","x-ray","0.71073","MoKα","","0.1104","0.0713","","","0.1893","0.2352","","","","","","1.1","","","","has coordinates,has disorder","269749","2021-10-06","16:02:27",""
"7060906","11.6475","0.0008","12.5986","0.001","26.1644","0.0019","90","","90","","90","","3839.4","0.5","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C208 H160 N16 O8 -","8","1","","Karmakar, Swastik; Das, Prasanta; Kundu, Sandip","Silver-catalyzed tandem 5- and 6-endo-cyclizations via concomitant yne-ol-imine activation: selective entry to 2-aryldihydrofuroquinolines","New Journal of Chemistry","2021","45","35","16112","16118","10.1039/D1NJ02643G","","","1.54184","CuKα","","0.0443","0.0431","","","0.1051","0.1064","","","","","","1.114","","","","has coordinates","269756","2021-10-06","16:03:53",""
"7060907","9.812","0.0002","12.863","0.0003","15.467","0.0003","110.229","0.002","96.599","0.002","106.447","0.002","1706.93","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","2","","Younes, Eyad A.; Issa, Maram J.; Abdollahi, Maryam F.; Ding, Yuan-Fu; Rasras, Anas J.; Mok, Greta S. P.; Lin, Jian-Bin; Zhao, Yuming","Studies of cyanomethylcarbamoyl-bridged anthracene and pyrene fluorophores","New Journal of Chemistry","2021","45","37","17366","17376","10.1039/D1NJ03044B","","x-ray","1.54184","CuKα","","0.0496","0.043","","","0.1102","0.1145","","","","","","1.057","","","","has coordinates","269741","2021-10-06","16:00:31",""
"7060908","10.045","0.0001","20.4122","0.0002","17.876","0.0002","90","","103.348","0.001","90","","3566.29","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O -","- C25 H16 N2 O -","- C200 H128 N16 O8 -","8","2","","Younes, Eyad A.; Issa, Maram J.; Abdollahi, Maryam F.; Ding, Yuan-Fu; Rasras, Anas J.; Mok, Greta S. P.; Lin, Jian-Bin; Zhao, Yuming","Studies of cyanomethylcarbamoyl-bridged anthracene and pyrene fluorophores","New Journal of Chemistry","2021","45","37","17366","17376","10.1039/D1NJ03044B","","x-ray","1.54184","CuKα","","0.077","0.0663","","","0.179","0.1918","","","","","","1.043","","","","has coordinates","269741","2021-10-06","16:00:31",""
"7060909","10.3742","0.0002","11.1","0.0002","11.2768","0.0002","92.4379","0.0016","94.2137","0.0015","91.8446","0.0016","1293.07","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H39 Cl9 N4 O2 -","- C57 H39 Cl9 N4 O2 -","- C57 H39 Cl9 N4 O2 -","1","0.5","","Younes, Eyad A.; Issa, Maram J.; Abdollahi, Maryam F.; Ding, Yuan-Fu; Rasras, Anas J.; Mok, Greta S. P.; Lin, Jian-Bin; Zhao, Yuming","Studies of cyanomethylcarbamoyl-bridged anthracene and pyrene fluorophores","New Journal of Chemistry","2021","45","37","17366","17376","10.1039/D1NJ03044B","","x-ray","1.54184","CuKα","","0.0485","0.0437","","","0.1124","0.1165","","","","","","1.066","","","","has coordinates,has disorder","269741","2021-10-06","16:00:31",""
"7060910","4.8515","0.0002","21.804","0.0012","11.5794","0.0005","90","","91.942","0.004","90","","1224.19","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H19 Cl3 N2 O -","- C30 H19 Cl3 N2 O -","- C60 H38 Cl6 N4 O2 -","2","1","","Younes, Eyad A.; Issa, Maram J.; Abdollahi, Maryam F.; Ding, Yuan-Fu; Rasras, Anas J.; Mok, Greta S. P.; Lin, Jian-Bin; Zhao, Yuming","Studies of cyanomethylcarbamoyl-bridged anthracene and pyrene fluorophores","New Journal of Chemistry","2021","45","37","17366","17376","10.1039/D1NJ03044B","","x-ray","1.54184","CuKα","","0.084","0.0694","","","0.1904","0.2025","","","","","","1.06","","","","has coordinates,has disorder","269741","2021-10-06","16:00:31",""
"7060911","10.0932","0.0006","17.334","0.001","11.369","0.0007","90","","104.954","0.006","90","","1921.7","0.2","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O4 -","- C25 H18 O4 -","- C100 H72 O16 -","4","1","","Huang, Jie; Sun, Shaofa; Ma, Ping; Wang, Jian; Lee, Kevin; Xing, Yalan; Wu, Yang; Wang, Gangqiang","Highly diastereoselective spiro-cyclopropanation of 2-arylidene-1,3-indanediones and dimethylsulfonium ylides","New Journal of Chemistry","2021","45","40","18776","18780","10.1039/D1NJ02886C","","x-ray","0.71073","MoKα","","0.0508","0.0414","","","0.0931","0.0989","","","","","","1.076","","","","has coordinates","270487","2021-11-06","20:32:34",""
"7060912","26.9078","0.001","27.1717","0.0011","34.4369","0.0013","90","","90","","90","","25177.9","1.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C128 H146 Cl4 N10 O8 S10 -","- C128 H146 Cl4 N10 O8 S10 -","- C1024 H1168 Cl32 N80 O64 S80 -","8","1","","Rahman, Shofiur; Tomiyasu, Hirotsugu; Wang, Chuan-Zeng; Georghiou, Paris E.; Alodhayb, Abdullah; Carpenter-Warren, Cameron L.; Elsegood, Mark R. J.; Teat, Simon J.; Redshaw, Carl; Yamato, Takehiko","Allosteric binding properties of a 1,3-alternate thiacalix[4]arene-based receptor having phenylthiourea and 2-pyridylmethyl moieties on opposite faces","New Journal of Chemistry","2021","45","41","19235","19243","10.1039/D1NJ02991F","","","0.7749","synchrotron","","0.0764","0.0513","","","0.1292","0.1555","","","","","","1.055","","","","has coordinates,has disorder","270469","2021-11-06","20:29:22",""
"7060913","14.9802","0.0013","11.051","0.0007","20.2398","0.0015","90","","106.685","0.006","90","","3209.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H33 Br2 N3 Pd -","- C35 H33 Br2 N3 Pd -","- C140 H132 Br8 N12 Pd4 -","4","1","","el-Krim Sandeli, Abd; Khiri-Meribout, Naima; Benzerka, Saida; Boulebd, Houssem; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail","Synthesis, structures, DFT calculations, and catalytic application in the direct arylation of five-membered heteroarenes with aryl bromides of novel palladium-N-heterocyclic carbene PEPPSI-type complexes","New Journal of Chemistry","2021","45","38","17878","17892","10.1039/D1NJ03388C","","","0.71073","MoKα","","0.231","0.0927","","","0.1253","0.1641","","","","","","0.972","","","","has coordinates","269762","2021-10-06","16:04:38",""
"7060914","9.3043","0.0007","11.1447","0.0009","17.5332","0.0014","91.19","0.006","104.973","0.006","103.026","0.006","1705.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Br2 N3 Pd -","- C38 H39 Br2 N3 Pd -","- C76 H78 Br4 N6 Pd2 -","2","1","","el-Krim Sandeli, Abd; Khiri-Meribout, Naima; Benzerka, Saida; Boulebd, Houssem; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail","Synthesis, structures, DFT calculations, and catalytic application in the direct arylation of five-membered heteroarenes with aryl bromides of novel palladium-N-heterocyclic carbene PEPPSI-type complexes","New Journal of Chemistry","2021","45","38","17878","17892","10.1039/D1NJ03388C","","","0.71073","MoKα","","0.1301","0.0771","","","0.175","0.2089","","","","","","1.036","","","","has coordinates","269762","2021-10-06","16:04:41",""
"7060915","11.9557","0.0009","16.644","0.0008","18.4136","0.0013","90","","106.908","0.006","90","","3505.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Br2 N3 O3 Pd -","- C37 H37 Br2 N3 O3 Pd -","- C148 H148 Br8 N12 O12 Pd4 -","4","1","","el-Krim Sandeli, Abd; Khiri-Meribout, Naima; Benzerka, Saida; Boulebd, Houssem; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail","Synthesis, structures, DFT calculations, and catalytic application in the direct arylation of five-membered heteroarenes with aryl bromides of novel palladium-N-heterocyclic carbene PEPPSI-type complexes","New Journal of Chemistry","2021","45","38","17878","17892","10.1039/D1NJ03388C","","","0.71073","MoKα","","0.0727","0.0534","","","0.0962","0.1022","","","","","","1.165","","","","has coordinates","269762","2021-10-06","16:04:46",""
"7060916","7.3267","0.0005","10.2286","0.0007","18.5961","0.0011","90","","90.66","0.002","90","","1393.53","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Fe N2 P -","- C15 H17 Fe N2 P -","- C60 H68 Fe4 N8 P4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0634","0.0371","","","0.0667","0.0732","","","","","","1.025","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060917","7.5627","0.001","10.1352","0.0014","16.263","0.002","90","","98.888","0.005","90","","1231.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Fe2 N2 -","- C30 H36 Fe2 N2 -","- C60 H72 Fe4 N4 -","2","0.5","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0948","0.0835","","","0.2367","0.245","","","","","","1.1","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060918","19.1416","0.001","9.774","0.0006","8.2857","0.0005","90","","94.672","0.002","90","","1545.02","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Fe N2 P -","- C18 H15 Fe N2 P -","- C72 H60 Fe4 N8 P4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0597","0.045","","","0.1004","0.1056","","","","","","1.155","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060919","41.9024","0.001","10.1534","0.0003","21.7438","0.0005","90","","104.147","0.001","90","","8970.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Fe N2 P -","- C12 H11 Fe N2 P -","- C384 H352 Fe32 N64 P32 -","32","4","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0481","0.0334","","","0.0621","0.0652","","","","","","1.02","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060920","11.664","0.0008","7.3497","0.0005","15.3627","0.001","90","","91.718","0.002","90","","1316.4","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Fe N2 O P -","- C14 H13 Fe N2 O P -","- C56 H52 Fe4 N8 O4 P4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0317","0.0271","","","0.0746","0.0773","","","","","","1.187","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060921","9.7557","0.0004","12.9751","0.0005","13.2097","0.0006","65.892","0.002","70.324","0.002","72.391","0.002","1410.41","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Fe N4 P2 -","- C14 H12 Fe N4 P2 -","- C56 H48 Fe4 N16 P8 -","4","2","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0418","0.0293","","","0.0606","0.0635","","","","","","1.039","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060922","11.5955","0.0013","7.3503","0.0008","15.4894","0.0015","90","","92.284","0.004","90","","1319.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 As Fe N2 O -","- C14 H13 As Fe N2 O -","- C56 H52 As4 Fe4 N8 O4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0613","0.0458","","","0.0843","0.0892","","","","","","1.101","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060923","8.8683","0.0007","9.7413","0.0007","21.2822","0.0012","90","","90","","90","","1838.5","0.2","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Fe N4 O2 P2 -","- C18 H16 Fe N4 O2 P2 -","- C72 H64 Fe4 N16 O8 P8 -","4","0.5","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0604","0.0372","","","0.0737","0.0813","","","","","","1.084","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060924","9.7872","0.0005","12.8584","0.0005","20.2069","0.0009","90","","90","","90","","2543","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Fe N2 O -","- C14 H16 Fe N2 O -","- C112 H128 Fe8 N16 O8 -","8","2","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0573","0.0392","","","0.0636","0.0674","","","","","","0.981","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060925","16.3414","0.0011","7.8369","0.0005","19.833","0.001","90","","90","","90","","2539.9","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Fe N2 O -","- C14 H16 Fe N2 O -","- C112 H128 Fe8 N16 O8 -","8","1","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0895","0.0473","","","0.0873","0.0966","","","","","","0.986","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060926","28.021","0.002","7.3169","0.0005","10.7673","0.0008","90","","101.809","0.002","90","","2160.9","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H14 Fe N2 -","- C12 H14 Fe N2 -","- C96 H112 Fe8 N16 -","8","2","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.058","0.0534","","","0.1344","0.1366","","","","","","1.182","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060927","8.9108","0.0006","5.2991","0.0004","8.3414","0.0006","90","","90","","90","","393.87","0.05","302","","302","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Cl N O3 -","- Ba Cl N O3 -","- Ba4 Cl4 N4 O12 -","4","0.5","","Chen, Zhen; Zeng, Hao; Han, Shujuan; Yang, Zhihua; Pan, Shilie","From BaCl2 to Ba(NO3)Cl: significantly enhanced birefringence derived from π-conjugated [NO3]","New Journal of Chemistry","2021","45","37","17544","17550","10.1039/D1NJ03282H","","","0.71073","MoKα","","0.0236","0.0166","","","0.0277","0.0295","","","","","","1.005","","","","has coordinates","269742","2021-10-06","16:00:38",""
"7060928","14.2921","0.0007","21.5474","0.0009","15.6029","0.0007","90","","94.754","0.002","90","","4788.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Co N12 O0 P2 -","- C48 H40 Co N12 P2 -","- C192 H160 Co4 N48 P8 -","4","1","","Chen, Shu-Yang; Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Yan, Hong; Xue, Zi-Ling","Magnetic anisotropies and slow magnetic relaxation of three tetrahedral tetrakis(pseudohalido)–cobalt(ii) complexes","New Journal of Chemistry","2021","45","36","16852","16861","10.1039/D1NJ01916C","","","0.71073","MoKα","","0.0912","0.0566","","","0.1248","0.1406","","","","","","1.014","","","","has coordinates,has disorder","269746","2021-10-06","16:01:51",""
"7060929","22.538","0.003","15.0939","0.0018","14.9601","0.0018","90","","108.721","0.002","90","","4820","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Co N4 P2 S4 -","- C52 H40 Co N4 P2 S4 -","- C208 H160 Co4 N16 P8 S16 -","4","0.5","","Chen, Shu-Yang; Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Yan, Hong; Xue, Zi-Ling","Magnetic anisotropies and slow magnetic relaxation of three tetrahedral tetrakis(pseudohalido)–cobalt(ii) complexes","New Journal of Chemistry","2021","45","36","16852","16861","10.1039/D1NJ01916C","","","0.71073","MoKα","","0.0637","0.0458","","","0.1177","0.1318","","","","","","1.037","","","","has coordinates","269746","2021-10-06","16:01:51",""
"7060930","22.276","0.003","14.828","0.003","13.6901","0.0018","90","","104.641","0.004","90","","4375.1","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Co N4 O4 P2 S0 -","- C52 H40 Co N4 O4 P2 -","- C208 H160 Co4 N16 O16 P8 -","4","0.5","","Chen, Shu-Yang; Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Yan, Hong; Xue, Zi-Ling","Magnetic anisotropies and slow magnetic relaxation of three tetrahedral tetrakis(pseudohalido)–cobalt(ii) complexes","New Journal of Chemistry","2021","45","36","16852","16861","10.1039/D1NJ01916C","","","0.71073","MoKα","","0.0757","0.057","","","0.1204","0.1269","","","","","","1.098","","","","has coordinates","269746","2021-10-06","16:01:51",""
"7060931","9.0226","0.0005","10.2799","0.0006","17.7088","0.0011","96.927","0.003","92.816","0.003","115.474","0.002","1462.63","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 Fe2 O6 P S2 -","- C31 H23 Fe2 O6 P S2 -","- C62 H46 Fe4 O12 P2 S4 -","2","1","","Gu, Xiao-Li; Li, Jian-Rong; Jin, Bo; Guo, Yang; Jing, Xing-Bin; Zhao, Pei-Hua","Phosphine-substituted diiron complexes Fe2(μ-Rodt)(CO)6−n(PPh3)n (R = Ph, Me, H and n = 1, 2) featuring desymmetrized oxadithiolate bridges: structures, protonation, and electrocatalysis","New Journal of Chemistry","2021","45","38","17996","18007","10.1039/D1NJ03398K","","","0.71073","MoKα","","0.0608","0.0382","","","0.0901","0.1008","","","","","","1.013","","","","has coordinates","269764","2021-10-06","16:05:26",""
"7060932","14.3643","0.0005","18.3822","0.0007","17.9936","0.0006","90","","110.096","0.001","90","","4461.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Fe2 O5 P2 S2 -","- C48 H38 Fe2 O5 P2 S2 -","- C192 H152 Fe8 O20 P8 S8 -","4","1","","Gu, Xiao-Li; Li, Jian-Rong; Jin, Bo; Guo, Yang; Jing, Xing-Bin; Zhao, Pei-Hua","Phosphine-substituted diiron complexes Fe2(μ-Rodt)(CO)6−n(PPh3)n (R = Ph, Me, H and n = 1, 2) featuring desymmetrized oxadithiolate bridges: structures, protonation, and electrocatalysis","New Journal of Chemistry","2021","45","38","17996","18007","10.1039/D1NJ03398K","","","0.71073","MoKα","","0.0909","0.0742","","","0.2205","0.2419","","","","","","1.074","","","","has coordinates","269764","2021-10-06","16:05:28",""
"7060933","9.2009","0.0006","13.4863","0.001","16.7738","0.0012","77.342","0.004","89.522","0.004","70.674","0.004","1911.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Fe2 O5 P2 S2 -","- C42 H34 Fe2 O5 P2 S2 -","- C84 H68 Fe4 O10 P4 S4 -","2","1","","Gu, Xiao-Li; Li, Jian-Rong; Jin, Bo; Guo, Yang; Jing, Xing-Bin; Zhao, Pei-Hua","Phosphine-substituted diiron complexes Fe2(μ-Rodt)(CO)6−n(PPh3)n (R = Ph, Me, H and n = 1, 2) featuring desymmetrized oxadithiolate bridges: structures, protonation, and electrocatalysis","New Journal of Chemistry","2021","45","38","17996","18007","10.1039/D1NJ03398K","","","0.71073","MoKα","","0.1173","0.0717","","","0.1139","0.1342","","","","","","1.141","","","","has coordinates","269764","2021-10-06","16:05:45",""
"7060934","9.2488","0.0006","13.4812","0.0008","17.0713","0.0011","77.746","0.003","89.45","0.003","70.192","0.003","1952.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Fe2 O5 P2 S2 -","- C43 H36 Fe2 O5 P2 S2 -","- C86 H72 Fe4 O10 P4 S4 -","2","1","","Gu, Xiao-Li; Li, Jian-Rong; Jin, Bo; Guo, Yang; Jing, Xing-Bin; Zhao, Pei-Hua","Phosphine-substituted diiron complexes Fe2(μ-Rodt)(CO)6−n(PPh3)n (R = Ph, Me, H and n = 1, 2) featuring desymmetrized oxadithiolate bridges: structures, protonation, and electrocatalysis","New Journal of Chemistry","2021","45","38","17996","18007","10.1039/D1NJ03398K","","","0.71073","MoKα","","0.0744","0.0478","","","0.1271","0.1462","","","","","","1.0347","","","","has coordinates,has disorder","269764","2021-10-06","16:05:48",""
"7060935","10.0192","0.0008","10.9995","0.001","11.4502","0.0007","70.565","0.007","69.674","0.006","63.328","0.008","1033.58","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cd N3 O11 -","- C17 H20 Cd N3 O11 -","- C34 H40 Cd2 N6 O22 -","2","1","","Guo, Zhongcheng; Zhang, Yimeng; Liu, Jinggang; Han, Bingxue; Li, Gang","Two imidazole multicarboxylate-based MOFs: syntheses, structures and proton conductive properties","New Journal of Chemistry","2021","45","36","16971","16977","10.1039/D1NJ03002G","","","1.54184","CuKα","","0.0702","0.0579","","","0.1442","0.1535","","","","","","1.036","","","","has coordinates","269747","2021-10-06","16:01:56",""
"7060936","9.012","0.003","10.387","0.004","16.294","0.005","90","","105.724","0.013","90","","1468.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Au Cl N2 O -","- C13 H16 Au Cl N2 O -","- C52 H64 Au4 Cl4 N8 O4 -","4","1","","Costabile, Chiara; Mariconda, Annaluisa; Sirignano, Marco; Crispini, Alessandra; Scarpelli, Francesca; Longo, Pasquale","A green approach for A3-coupling reactions: an experimental and theoretical study on NHC silver and gold catalysts","New Journal of Chemistry","2021","45","39","18509","18517","10.1039/D1NJ03444H","","","0.71073","MoKα","","0.0208","0.0166","","","0.0378","0.0391","","","","","","1.058","","","","has coordinates","270484","2021-11-06","20:31:56",""
"7060937","16.21","0.002","7.1384","0.0018","23.224","0.003","90","","108.986","0.013","90","","2541.1","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Au Cl N8 O3 S2 -","- C16 H20 Au Cl N8 O3 S2 -","- C64 H80 Au4 Cl4 N32 O12 S8 -","4","0.5","","Mageed, Ahmed Hassoon; Al-Ameed, Karrar","Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand","New Journal of Chemistry","2021","45","39","18433","18442","10.1039/D1NJ03647E","","x-ray","1.54178","CuKα","","0.1309","0.0816","","","0.2011","0.2307","","","","","","1.066","","","","has coordinates,has disorder","270485","2021-11-06","20:32:03",""
"7060938","7.0766","0.0002","12.4355","0.0003","8.0835","0.0004","90","","90.355","0.004","90","","711.34","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H9 Au2 Cl3 N4 S -","- C8 H9 Au2 Cl3 N4 S -","- C16 H18 Au4 Cl6 N8 S2 -","2","1","","Mageed, Ahmed Hassoon; Al-Ameed, Karrar","Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand","New Journal of Chemistry","2021","45","39","18433","18442","10.1039/D1NJ03647E","","","0.71073","MoKα","","0.0789","0.0581","","","0.1311","0.1446","","","","","","1","","","","has coordinates","270485","2021-11-06","20:32:03",""
"7060939","7.3584","0.0003","7.8336","0.0003","12.6006","0.0004","99.299","0.003","90.361","0.003","92.429","0.003","716.08","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H14 Au Cl2 N4 O S -","- C9 H14 Au Cl2 N4 O S -","- C18 H28 Au2 Cl4 N8 O2 S2 -","2","1","","Mageed, Ahmed Hassoon; Al-Ameed, Karrar","Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand","New Journal of Chemistry","2021","45","39","18433","18442","10.1039/D1NJ03647E","","","0.71073","MoKα","","0.0717","0.0457","","","0.0781","0.0913","","","","","","1.002","","","","has coordinates","270485","2021-11-06","20:32:03",""
"7060943","13.2","0.0004","13.617","0.0004","17.2854","0.0006","94.404","0.002","109.64","0.002","101.574","0.002","2831.46","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Cl2 N16 O12 Zn2 -","- C44 H38 Cl2 N16 O12 Zn2 -","- C88 H76 Cl4 N32 O24 Zn4 -","2","1","","Mati, Soumya Sundar; Konar, Saugata; Samai, Boby","Synthesis of an unprecedented H-stitched binuclear crystal structure based on selective fluorescence recognition of Zn2+ in newly synthesized Schiff base ligand with DFT and imaging application in living cells","New Journal of Chemistry","2021","45","39","18459","18471","10.1039/D1NJ03471E","","","0.71073","MoKα","","0.058","0.0442","","","0.1283","0.1345","","","","","","1.05","","","","has coordinates","270483","2021-11-06","20:31:38",""
"7060944","17.5924","0.0013","16.7807","0.0012","20.6012","0.0015","90","","110.266","0.002","90","","5705.2","0.7","173","2","173.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 Gd2 N9 Ni O23 -","- C36 H24 Gd2 N8 Ni O22 -","- C144 H96 Gd8 N32 Ni4 O88 -","4","0.5","","Yang, Yu; Fu, Yaomei; You, Siqi; Li, Mingyue; Qin, Chao; Zhao, Liang; Su, Zhongmin","Synthesis and CO2 photoreduction of two 3d–4f heterometal–organic frameworks","New Journal of Chemistry","2021","45","40","18790","18795","10.1039/D1NJ03479K","","x-ray","0.71073","MoKα","K-L~3~","0.0486","0.0384","","","0.1021","0.11","","","","","","1.045","","","","has coordinates,has disorder","270491","2021-11-06","20:33:00",""
"7060945","11.0599","0.001","12.4532","0.001","22.2391","0.0018","101.704","0.003","103.402","0.003","95.429","0.003","2885.2","0.4","173","2","173.02","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H51 Co Gd2 N9 O25 -","- C36 H18 Co Gd2 N7 O21 -","- C72 H36 Co2 Gd4 N14 O42 -","2","1","","Yang, Yu; Fu, Yaomei; You, Siqi; Li, Mingyue; Qin, Chao; Zhao, Liang; Su, Zhongmin","Synthesis and CO2 photoreduction of two 3d–4f heterometal–organic frameworks","New Journal of Chemistry","2021","45","40","18790","18795","10.1039/D1NJ03479K","","x-ray","0.71073","MoKα","K-L~3~","0.0379","0.0292","","","0.0823","0.0865","","","","","","1.05","","","","has coordinates,has disorder","270491","2021-11-06","20:33:00",""
"7060946","11.2948","0.0005","15.2912","0.0006","10.9882","0.0003","90","","102.406","0.0018","90","","1853.47","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Seenan, Shanthi; Manickam, Saravanakumar; Kulathu Iyer, Sathiyanarayanan","Fluorescent chemosensors for Hg2+ ions based on a pyridine-attached phenanthridine probe","New Journal of Chemistry","2021","45","37","17667","17673","10.1039/D1NJ03561D","","","0.71073","MoKα","","0.0719","0.0396","","","0.0857","0.1015","","","","","","1.016","","","","has coordinates","269739","2021-10-06","16:00:16",""
"7060947","4.9672","0.0003","12.7852","0.001","14.3081","0.0013","88.99","0.003","81.51","0.002","86.431","0.002","896.93","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H16 Cl2 N10 O11 -","- C7 H16 Cl2 N10 O11 -","- C14 H32 Cl4 N20 O22 -","2","1","","Dai, Changhao; Chen, Jieyi; Tang, Jie; Cheng, Guangbin; Yang, Hongwei","Combining 1,2,4-triazole and pyrazole frameworks for new insensitive energetic materials","New Journal of Chemistry","2021","45","38","17960","17965","10.1039/D1NJ03433B","","","0.71073","MoKα","","0.0934","0.0694","","","0.1758","0.1968","","","","","","1.045","","","","has coordinates","269768","2021-10-06","16:06:30",""
"7060954","9.9197","0.0014","7.174","0.0007","16.673","0.002","90","","106.745","0.004","90","","1136.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 N10 O5 -","- C5 H10 N10 O5 -","- C20 H40 N40 O20 -","4","1","","Chen, Dongxu; Zhao, Jiangshan; Yang, Hongwei; Gu, Hao; Cheng, Guangbin","Introduction of the acylamino group to bridged bis(nitroamino-1,2,4-triazole): a strategy for tuning the sensitivity of energetic materials","New Journal of Chemistry","2021","45","38","18059","18064","10.1039/D1NJ03551G","","","0.71073","MoKα","","0.1204","0.0522","","","0.1031","0.1276","","","","","","1.045","","","","has coordinates,has disorder","269766","2021-10-06","16:06:16",""
"7060955","8.6112","0.0002","11.4714","0.0003","11.6361","0.0005","112.34","0.003","92.063","0.002","102.687","0.002","1028.08","0.06","94.98","0.1","94.98","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N5 O3 P -","- C21 H22 N5 O3 P -","- C42 H44 N10 O6 P2 -","2","1","","Gholivand, Khodayar; Babaee, Leila Sarmadi; Fallah, Nasrin; Faraghi, Mohammad; Dusek, Michal; Eigner, Vaclav","Synthesis, structural characterization and cytotoxicity of a new proton transfer compound based on 2,4-diamino-1,3,5-triazine: an experimental and computational study","New Journal of Chemistry","2021","45","42","19755","19763","10.1039/D1NJ03674B","","x-ray","1.54184","CuKα","","0.0316","0.0295","","","0.0902","0.0929","","","","1.68","1.68","1.65","","","","has coordinates","270473","2021-11-06","20:29:58",""
"7060956","31.654","0.005","20.851","0.003","15.488","0.002","90","","94.774","0.005","90","","10187","3","170","2","170","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H136 N76 O56 S4 Zn2 -","- C144 H128 N76 O56 S4 Zn2 -","- C288 H256 N152 O112 S8 Zn4 -","2","0.25","","Guo, Jing; Shi, Lulu; Liu, Mei","Ultrastable cucurbit[6]uril-based multifunctional supramolecular assembly for efficient detection of nitroaromatic compounds and antibiotics","New Journal of Chemistry","2021","45","38","18221","18228","10.1039/D1NJ03509F","","","1.54178","CuKα","","0.1247","0.1128","","","0.2992","0.3096","","","","","","1.145","","","","has coordinates","269763","2021-10-06","16:04:53",""
"7060957","12.89","0.002","12.89","0.002","13.861","0.002","90","","90","","90","","2303","0.6","120","2","120","2","","","","","","","","5","I 4","I 4","79","","","","- C18 H18 Bi Br5 N2 -","- C18 H18 Bi Br5 N2 -","- C72 H72 Bi4 Br20 N8 -","4","0.5","","Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.","Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]","New Journal of Chemistry","2021","45","39","18349","18357","10.1039/D1NJ02390J","","","0.71073","MoKα","","0.0313","0.0276","","","0.0641","0.0657","","","","","","1.053","","","","has coordinates","270486","2021-11-06","20:32:11",""
"7060958","9.3297","0.0002","8.3343","0.0002","16.1878","0.0003","90","","94.176","0.001","90","","1255.37","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 I6 N2 -","- C18 H18 I6 N2 -","- C36 H36 I12 N4 -","2","0.5","","Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.","Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]","New Journal of Chemistry","2021","45","39","18349","18357","10.1039/D1NJ02390J","","","0.71073","MoKα","","0.0235","0.021","","","0.0497","0.0506","","","","","","1.152","","","","has coordinates","270486","2021-11-06","20:32:11",""
"7060959","9.66","0.0019","11.24","0.002","12.28","0.002","100.32","0.03","90.33","0.03","113.41","0.03","1199.4","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H39 Bi I9 N3 -","- C39 H39 Bi I9 N3 -","- C39 H39 Bi I9 N3 -","1","1","","Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.","Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]","New Journal of Chemistry","2021","45","39","18349","18357","10.1039/D1NJ02390J","","","0.79312","synchrotron","","0.0319","0.0316","","","0.0816","0.0819","","","","","","1.062","","","","has coordinates","270486","2021-11-06","20:32:11",""
"7060960","13.1552","0.0019","13.1552","0.0019","14.799","0.003","90","","90","","90","","2561.1","0.7","100","2","100","2","","","","","","","","5","I 4","I 4","79","","","","- C18 H18 Bi I5 N2 -","- C18 H18 Bi I5 N2 -","- C72 H72 Bi4 I20 N8 -","4","0.5","","Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.","Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]","New Journal of Chemistry","2021","45","39","18349","18357","10.1039/D1NJ02390J","","","0.79312","synchrotron","","0.0369","0.0334","","","0.084","0.0856","","","","","","1.266","","","","has coordinates,has disorder","270486","2021-11-06","20:32:11",""
"7060961","8.1834","0.0006","10.3982","0.0007","14.0203","0.001","74.058","0.001","89.732","0.001","81.788","0.001","1134.63","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H40 Cd2 N9 O10 -","- C53 H34 Cd2 N9 O10 -","- C53 H34 Cd2 N9 O10 -","1","0.5","","Zhang, Feng-Feng; Han, You; Liang, Qian; Wu, Man; Wang, Xiao; Tang, Long; Yue, Er-Lin; Wang, Ji-Jiang; Fu, Feng; Hou, Xiang-Yang","Visible light-assisted photocatalytic degradation of methylene blue in water by highly chemically stable Cd-coordination polymers at room temperature","New Journal of Chemistry","2021","45","42","19660","19665","10.1039/D1NJ03958J","","","0.71073","MoKα","","0.0241","0.0229","","","0.0758","0.0769","","","","","","1.114","","","","has coordinates,has disorder","270474","2021-11-06","20:30:19",""
"7060962","10.3342","0.0016","11.9217","0.0019","12.426","0.0016","115.186","0.004","111.605","0.004","92.28","0.006","1252.4","0.3","135","2","135","2","","","","","","","","5","P -1","-P 1","2","","","","- C H N O S -","- C3.75 H3.375 N0.375 O0.25 S0.125 -","- C60 H54 N6 O4 S2 -","16","8","","Singh, Vedeshwar Narayan; Sharma, Sitaram","The facile and efficient synthesis of novel monocyclic cis-β-lactam conjugates with a 1-methyl-1H-imidazole-2-thiol nucleus","New Journal of Chemistry","2021","45","41","19347","19357","10.1039/D1NJ03566E","","","0.71073","MoKα","","0.0813","0.0772","","","0.2109","0.2199","","","","","","1.018","","","","has coordinates","270468","2021-11-06","20:29:08",""
"7060963","10.44","0.003","11.519","0.003","12.207","0.003","112.745","0.01","91.875","0.01","106.279","0.009","1282.9","0.6","232","2","232","2","","","","","","","","6","P -1","-P 1","2","","","","- C H Cl N O S -","- C4.83333 H4 Cl0.166667 N0.5 O0.333333 S0.166667 -","- C58 H48 Cl2 N6 O4 S2 -","12","6","","Singh, Vedeshwar Narayan; Sharma, Sitaram","The facile and efficient synthesis of novel monocyclic cis-β-lactam conjugates with a 1-methyl-1H-imidazole-2-thiol nucleus","New Journal of Chemistry","2021","45","41","19347","19357","10.1039/D1NJ03566E","","","0.71073","MoKα","","0.0845","0.0741","","","0.2039","0.2147","","","","","","1.332","","","","has coordinates","270468","2021-11-06","20:29:08",""
"7060964","11.276","0.004","7.873","0.002","21.687","0.007","90","","100.141","0.005","90","","1895.2","1","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe N2 -","- C24 H18 Fe N2 -","- C96 H72 Fe4 N8 -","4","1","","Yan, Jian-Feng; Men, Rui-Xi; Chen, Xiao-Xiao; Lin, Cai-Xia; Nockemann, Peter; Yuan, Yao-Feng","D–π–A type ferrocene-substituted azobenzene photochromic switches: synthesis, structures, and electrochemical and photoisomerization studies","New Journal of Chemistry","2021","45","42","19917","19927","10.1039/D1NJ03894J","","","0.71073","MoKα","","0.0517","0.0435","","","0.1134","0.1196","","","","","","1.104","","","","has coordinates","270472","2021-11-06","20:29:52",""
"7060965","10.264","0.004","12.146","0.005","14.131","0.005","109.185","0.001","108.09","0.002","100.867","0.004","1496.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 Fe N5 -","- C39 H27 Fe N5 -","- C78 H54 Fe2 N10 -","2","1","","Yan, Jian-Feng; Men, Rui-Xi; Chen, Xiao-Xiao; Lin, Cai-Xia; Nockemann, Peter; Yuan, Yao-Feng","D–π–A type ferrocene-substituted azobenzene photochromic switches: synthesis, structures, and electrochemical and photoisomerization studies","New Journal of Chemistry","2021","45","42","19917","19927","10.1039/D1NJ03894J","","","0.71073","MoKα","","0.0476","0.0418","","","0.11","0.1142","","","","","","1.059","","","","has coordinates","270472","2021-11-06","20:29:53",""
"7060966","11.3916","0.00013","5.69116","0.00006","12.43561","0.00014","90","","102.195","0.0011","90","","788.027","0.015","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 Cu N2 O7 -","- C14 H22 Cu N2 O7 -","- C28 H44 Cu2 N4 O14 -","2","1","","Wu, Jialu; Li, Bo; Wang, Hong; Lai, Yingzhen; Ye, Yue; Zou, Yongkang; Tian, Jumei; Xu, Yaohua","How the magnetic field impacts the chiroptical activities of helical copper enantiomers","New Journal of Chemistry","2021","45","42","20021","20027","10.1039/D1NJ03803F","","","1.54184","CuKα","","0.0215","0.0214","","","0.0561","0.0561","","","","","","1.021","","","","has coordinates","270477","2021-11-06","20:30:43",""
"7060967","11.386","0.0002","5.6909","0.0001","12.4062","0.0002","90","","102.327","0.002","90","","785.35","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 Cu N2 O7 -","- C14 H22 Cu N2 O7 -","- C28 H44 Cu2 N4 O14 -","2","1","","Wu, Jialu; Li, Bo; Wang, Hong; Lai, Yingzhen; Ye, Yue; Zou, Yongkang; Tian, Jumei; Xu, Yaohua","How the magnetic field impacts the chiroptical activities of helical copper enantiomers","New Journal of Chemistry","2021","45","42","20021","20027","10.1039/D1NJ03803F","","","1.54184","CuKα","","0.0229","0.0227","","","0.0587","0.0591","","","","","","1.041","","","","has coordinates","270477","2021-11-06","20:30:43",""
"7060968","9.3506","0.0008","18.9562","0.0017","12.9324","0.0011","90","","99.673","0.009","90","","2259.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N5 O9 -","- C21 H27 N5 O9 -","- C84 H108 N20 O36 -","4","1","","Zhang, Yunan; Duan, Yu; Su, Jin; Liu, Lixin; Feng, Yanru; Wu, Lili; Zhang, Lei; Zhang, Yunjie; Zou, Dongyu; Liu, Yingli","Inspiration for revival of old drugs: improving solubility and avoiding hygroscopicity of pipemidic acid by forming two pharmaceutical salts based on charge-assisted hydrogen bond recognitions","New Journal of Chemistry","2021","45","42","19704","19713","10.1039/D1NJ03314J","","","0.71073","MoKα","","0.1444","0.0611","","","0.1204","0.1577","","","","","","1.01","","","","has coordinates","270482","2021-11-06","20:31:30",""
"7060969","8.0857","0.0007","12.8969","0.0012","15.2536","0.0013","106.133","0.008","103.719","0.007","96.363","0.007","1457.6","0.2","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N5 O11 -","- C28 H33 N5 O11 -","- C56 H66 N10 O22 -","2","1","","Zhang, Yunan; Duan, Yu; Su, Jin; Liu, Lixin; Feng, Yanru; Wu, Lili; Zhang, Lei; Zhang, Yunjie; Zou, Dongyu; Liu, Yingli","Inspiration for revival of old drugs: improving solubility and avoiding hygroscopicity of pipemidic acid by forming two pharmaceutical salts based on charge-assisted hydrogen bond recognitions","New Journal of Chemistry","2021","45","42","19704","19713","10.1039/D1NJ03314J","","","0.71073","MoKα","","0.109","0.061","","","0.1135","0.1351","","","","","","1.028","","","","has coordinates","270482","2021-11-06","20:31:30",""
"7060970","8.576","0.003","17.76","0.006","15.79","0.006","90","","93.828","0.007","90","","2399.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O4 Zn -","- C20 H15 N3 O4 Zn -","- C80 H60 N12 O16 Zn4 -","4","1","","Kumar, Sandeep; Bhambri, Himanshi; Mandal, Sanjay K.","Conformational isomerism involving the carboxylate groups of a linker in metal organic frameworks and its distinctive influence on the detection of ketones","New Journal of Chemistry","2021","45","43","20219","20226","10.1039/D1NJ03865F","","x-ray","0.71073","MoKα","","0.1502","0.0649","","","0.1469","0.1848","","","","","","0.93","","","","has coordinates","271192","2021-12-07","03:39:43",""
"7060971","7.7989","0.0004","9.2736","0.0004","15.9266","0.0008","101.526","0.004","90.3","0.004","109.404","0.004","1061.34","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C58 H44 N4 O2 -","2","1","","Zhou, Yuan; Liu, Tingting; Zheng, Shuang; Wang, Xinyuan; Zhang, Mei; Irfan, Majeed; Zhang, Yuanyuan; Wang, Hui; Zeng, Zhuo","A highly selective visual paper-based detector for hydrazine and MCL luminogens based on fluorinated-pyrrole-functionalized triphenylamine","New Journal of Chemistry","2021","45","43","20173","20180","10.1039/D1NJ03642D","","x-ray","1.54184","CuKα","","0.0451","0.0415","","","0.1121","0.1164","","","","","","1.032","","","","has coordinates","271193","2021-12-07","03:39:49",""
"7060972","16.9114","0.0012","8.4024","0.0006","35.811","0.003","90","","90","","90","","5088.6","0.7","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C256 H176 N32 -","8","1","","Zhou, Yuan; Liu, Tingting; Zheng, Shuang; Wang, Xinyuan; Zhang, Mei; Irfan, Majeed; Zhang, Yuanyuan; Wang, Hui; Zeng, Zhuo","A highly selective visual paper-based detector for hydrazine and MCL luminogens based on fluorinated-pyrrole-functionalized triphenylamine","New Journal of Chemistry","2021","45","43","20173","20180","10.1039/D1NJ03642D","","","0.71073","MoKα","","0.0995","0.0574","","","0.1348","0.1627","","","","","","1.037","","","","has coordinates","271193","2021-12-07","03:39:50",""
"7060973","23.419","0.002","13.5736","0.001","24.9877","0.0018","90","","90.902","0.003","90","","7942.1","1.1","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H76 O16 Si8 Sn2 -","- C80 H76 O16 Si8 Sn2 -","- C320 H304 O64 Si32 Sn8 -","4","0.5","","Loganathan, Pushparaj; Pillai, Renjith S.; Jeevananthan, Velusamy; David, Ezhumalai; Palanisami, Nallasamy; Bhuvanesh, Nattamai S. P.; Shanmugan, Swaminathan","Assembly of discrete and oligomeric structures of organotin double-decker silsesquioxanes: inherent stability studies","New Journal of Chemistry","2021","45","43","20144","20154","10.1039/D1NJ03128G","","x-ray","0.71073","MoKα","","0.0246","0.0228","","","0.0549","0.0564","","","","","","1.041","","","","has coordinates,has disorder","271191","2021-12-07","03:39:37",""
"7060974","11.0582","0.0012","13.6018","0.0011","14.649","0.002","115.77","0.007","102.852","0.007","101.735","0.005","1818","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 O7 Si4 Sn -","- C32 H38 O7 Si4 Sn -","- C64 H76 O14 Si8 Sn2 -","2","1","","Loganathan, Pushparaj; Pillai, Renjith S.; Jeevananthan, Velusamy; David, Ezhumalai; Palanisami, Nallasamy; Bhuvanesh, Nattamai S. P.; Shanmugan, Swaminathan","Assembly of discrete and oligomeric structures of organotin double-decker silsesquioxanes: inherent stability studies","New Journal of Chemistry","2021","45","43","20144","20154","10.1039/D1NJ03128G","","","0.71073","MoKα","","0.0666","0.046","","","0.1188","0.143","","","","","","1.017","","","","has coordinates","271191","2021-12-07","03:39:37",""
"7060975","6.4976","0.0005","8.4557","0.0007","12.4568","0.0011","79.643","0.004","82.09","0.004","79.56","0.003","658.19","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(2,4-Dichlorophenyl)-3-hydroxy-4H-chromen-4-one","","- C15 H8 Cl2 O3 -","- C15 H8 Cl2 O3 -","- C30 H16 Cl4 O6 -","2","1","","Ahmed, Muhammad Naeem; Ghias, Mehreen; Shah, Syed Wadood Ali; Shoaib, Mohammad; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Ibrahim, Mahmoud A. A.; Andleeb, Hina; Gil, Diego M.; Frontera, Antonio","X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones","New Journal of Chemistry","2021","45","42","19928","19940","10.1039/D1NJ04340D","","","0.71073","MoKα","","0.0401","0.034","","","0.091","0.0966","","","","","","1.041","","","","has coordinates","270478","2021-11-06","20:30:49",""
"7060976","11.3596","0.0005","14.1923","0.0007","8.1555","0.0004","90","","93.993","0.002","90","","1311.63","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,3-Dichlorophenyl)-3-hydroxy-4H-chromen-4-one","","- C15 H8 Cl2 O3 -","- C15 H8 Cl2 O3 -","- C60 H32 Cl8 O12 -","4","1","","Ahmed, Muhammad Naeem; Ghias, Mehreen; Shah, Syed Wadood Ali; Shoaib, Mohammad; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Ibrahim, Mahmoud A. A.; Andleeb, Hina; Gil, Diego M.; Frontera, Antonio","X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones","New Journal of Chemistry","2021","45","42","19928","19940","10.1039/D1NJ04340D","","","0.71073","MoKα","","0.0533","0.0408","","","0.1026","0.1107","","","","","","1.04","","","","has coordinates","270478","2021-11-06","20:30:50",""
"7060977","7.6464","0.0005","11.3272","0.0007","15.5325","0.001","90","","101.017","0.003","90","","1320.51","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,6-Dichlorophenyl)-3-hydroxy-4H-chromen-4-one","","- C15 H8 Cl2 O3 -","- C15 H8 Cl2 O3 -","- C60 H32 Cl8 O12 -","4","1","","Ahmed, Muhammad Naeem; Ghias, Mehreen; Shah, Syed Wadood Ali; Shoaib, Mohammad; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Ibrahim, Mahmoud A. A.; Andleeb, Hina; Gil, Diego M.; Frontera, Antonio","X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones","New Journal of Chemistry","2021","45","42","19928","19940","10.1039/D1NJ04340D","","","0.71073","MoKα","","0.0511","0.0375","","","0.0968","0.1058","","","","","","1.048","","","","has coordinates","270478","2021-11-06","20:30:50",""
"7060978","10.1744","0.0003","9.3902","0.0002","46.7097","0.0014","90","","94.478","0.002","90","","4449","0.2","150.15","","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 Cl Co N2 O2 P3 Si -","- C45 H57 Cl Co N2 O2 P3 Si -","- C180 H228 Cl4 Co4 N8 O8 P12 Si4 -","4","1","","Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes","New Journal of Chemistry","2021","45","42","19950","19956","10.1039/D1NJ02982G","","","1.34143","GaKα","","0.0792","0.062","","","0.1556","0.1648","","","","","","1.081","","","","has coordinates","270476","2021-11-06","20:30:37",""
"7060979","21.426","0.0011","15.1726","0.0007","18.2179","0.0008","90","","90","","90","","5922.4","0.5","180","","180","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Co I O2 P3 -","- C30 H34 Co I O2 P3 -","- C240 H272 Co8 I8 O16 P24 -","8","1","","Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes","New Journal of Chemistry","2021","45","42","19950","19956","10.1039/D1NJ02982G","","x-ray","1.34143","GaKα","","0.0618","0.0344","","","0.074","0.0793","","","","","","0.916","","","","has coordinates","270476","2021-11-06","20:30:37",""
"7060980","16.7134","0.0002","12.4172","0.0002","22.7388","0.0003","90","","90.776","0.001","90","","4718.63","0.11","172.99","0.1","172.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Cl Co N2 O3 P2 Si -","- C43 H48 Cl1.005 Co N2 O3 P2 Si -","- C172 H192 Cl4.02 Co4 N8 O12 P8 Si4 -","4","1","","Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes","New Journal of Chemistry","2021","45","42","19950","19956","10.1039/D1NJ02982G","","","1.54184","CuKα","","0.063","0.049","","","0.1377","0.1554","","","","","","1.046","","","","has coordinates","270476","2021-11-06","20:30:37",""
"7060981","13.6916","0.0005","13.9509","0.0008","47.3618","0.0011","90","","90","","90","","9046.6","0.6","180","","180","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C46 H59 Cl Co N2 O2 P3 Si -","- C46 H59 Cl Co N2 O2 P3 Si -","- C368 H472 Cl8 Co8 N16 O16 P24 Si8 -","8","1","","Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes","New Journal of Chemistry","2021","45","42","19950","19956","10.1039/D1NJ02982G","","","1.34143","GaKα","","0.0488","0.0364","","","0.0963","0.1016","","","","","","1.05","","","","has coordinates","270476","2021-11-06","20:30:37",""
"7060982","10.0723","0.0006","13.1809","0.0009","10.5798","0.0008","90","","90.957","0.003","90","","1404.4","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Cl3 N3 O2 -","- C13 H6 Cl3 N3 O2 -","- C52 H24 Cl12 N12 O8 -","4","1","","Dolai, Gobinda; Roy, Sayanta; Sen, Srijit; Giri, Rajat Subhra; Mandal, Bhubaneswar","Crystal structure of 1-(2,4,6-trichlorobenzoyloxy) benzotriazole (TCB-OBt): observation of uncommon intermolecular oxygen–oxygen interaction and synthetic application in amidation","New Journal of Chemistry","2021","45","42","19804","19811","10.1039/D1NJ04048K","","","0.71073","MoKα","","0.0434","0.0368","","","0.1227","0.1309","","","","","","0.968","","","","has coordinates","270475","2021-11-06","20:30:25",""
"7060983","14.7883","0.0011","5.8469","0.0005","16.4107","0.0016","90","","115.755","0.003","90","","1278","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(pyridin-2-yl)-3-(3-(trifluoromethyl)phenyl)urea","","- C13 H10 F3 N3 O -","- C13 H10 F3 N3 O -","- C52 H40 F12 N12 O4 -","4","1","","Laha, Joydev K.; Singh, Neha; Hunjan, Mandeep Kaur","Synthesis of unsymmetrical urea from aryl- or pyridyl carboxamides and aminopyridines using PhI(OAc)2via in situ formation of aryl- or pyridyl isocyanates","New Journal of Chemistry","2021","45","40","18815","18823","10.1039/D1NJ03160K","","","0.71073","MoKα","","0.1065","0.0864","","","0.2426","0.2591","","","","","","1.025","","","","has coordinates","270490","2021-11-06","20:32:52",""
"7060986","11.58","0.0001","14.7628","0.0001","19.9717","0.0001","90.102","0.001","100.59","0.001","99.645","0.001","3306.77","0.04","219.99","0.16","219.99","0.16","","","","","","","","7","P -1","-P 1","2","","","","- C53 H52 Cl4.5 Dy2 N5 O24 Zn2 -","- C53 H52 Cl4.5 Dy2 N5 O24 Zn2 -","- C106 H104 Cl9 Dy4 N10 O48 Zn4 -","2","1","","Liu, Cai-Ming; Hao, Xiang","Magnetic relaxation in two chain-like Zn2Dy2 Schiff base coordination polymers bridged by tetraoxolene and its one-electron reduced radical","New Journal of Chemistry","2021","45","42","19868","19875","10.1039/D1NJ04299H","","x-ray","1.54184","CuKα","","0.0682","0.0611","","","0.1666","0.172","","","","","","1.024","","","","has coordinates,has disorder","270479","2021-11-06","20:31:00",""
"7060987","11.5601","0.0002","14.837","0.0003","20.0015","0.0005","89.624","0.002","80.033","0.002","79.843","0.002","3324.86","0.13","169.9","0.5","169.9","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C53 H52 Br4 Cl0.5 Dy2 N5 O24 Zn2 -","- C53 H52 Br4 Cl0.5 Dy2 N5 O24 Zn2 -","- C106 H104 Br8 Cl Dy4 N10 O48 Zn4 -","2","1","","Liu, Cai-Ming; Hao, Xiang","Magnetic relaxation in two chain-like Zn2Dy2 Schiff base coordination polymers bridged by tetraoxolene and its one-electron reduced radical","New Journal of Chemistry","2021","45","42","19868","19875","10.1039/D1NJ04299H","","x-ray","0.71073","MoKα","","0.1646","0.0821","","","0.1518","0.1755","","","","","","1.018","","","","has coordinates,has disorder","270479","2021-11-06","20:31:02",""
"7060989","17.973","0.003","14.747","0.002","27.502","0.004","90","","97.637","0.003","90","","7224.7","1.9","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 La2 N10 O14 -","- C46 H46 La2 N10 O14 -","- C184 H184 La8 N40 O56 -","4","1","","Chen, Changjuan; Zhang, Aijiang","Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates","New Journal of Chemistry","2021","45","43","20155","20163","10.1039/D1NJ03652A","","","0.71073","MoKα","","0.1297","0.0656","","","0.135","0.1478","","","","","","0.958","","","","has coordinates,has disorder","271190","2021-12-07","03:39:12",""
"7060990","17.4217","0.0014","14.681","0.0011","27.191","0.002","90","","106.684","0.002","90","","6661.8","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H49 N11 O14 Pr2 -","- C48.0006 H49 N11 O14 Pr2 -","- C192.002 H196 N44 O56 Pr8 -","4","1","","Chen, Changjuan; Zhang, Aijiang","Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates","New Journal of Chemistry","2021","45","43","20155","20163","10.1039/D1NJ03652A","","","0.71073","MoKα","","0.0513","0.0414","","","0.1122","0.1174","","","","","","1.078","","","","has coordinates,has disorder","271190","2021-12-07","03:39:15",""
"7060991","35.344","0.0016","20.8374","0.0014","21.395","0.0015","90","","100.671","0.003","90","","15484.4","1.7","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C124 H131 Er5 N24 O33 -","- C124 H131 Er5 N24 O33 -","- C496 H524 Er20 N96 O132 -","4","1","","Chen, Changjuan; Zhang, Aijiang","Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates","New Journal of Chemistry","2021","45","43","20155","20163","10.1039/D1NJ03652A","","","0.71073","MoKα","","0.0692","0.0545","","","0.1282","0.1303","","","","","","0.951","","","","has coordinates,has disorder","271190","2021-12-07","03:39:15",""
"7060992","17.693","0.006","16.389","0.005","24.679","0.008","90","","107.611","0.005","90","","6821","4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 Eu2 N10 O15 -","- C45 H46 Eu2 N10 O15 -","- C180 H184 Eu8 N40 O60 -","4","1","","Chen, Changjuan; Zhang, Aijiang","Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates","New Journal of Chemistry","2021","45","43","20155","20163","10.1039/D1NJ03652A","","","0.71073","MoKα","","0.1484","0.0895","","","0.2188","0.2422","","","","","","1.075","","","","has coordinates,has disorder","271190","2021-12-07","03:39:15",""
"7060993","36.9338","0.0014","20.8248","0.0013","21.7478","0.0013","90","","101.087","0.003","90","","16414.9","1.6","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C214 H271 N43 O60 Tb10 -","- C214 H271 N43 O60 Tb10 -","- C428 H542 N86 O120 Tb20 -","2","0.5","","Chen, Changjuan; Zhang, Aijiang","Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates","New Journal of Chemistry","2021","45","43","20155","20163","10.1039/D1NJ03652A","","","0.71073","MoKα","","0.061","0.0442","","","0.0969","0.0984","","","","","","1.032","","","","has coordinates,has disorder","271190","2021-12-07","03:39:15",""
"7060994","7.8394","0.0001","12.4027","0.0005","12.7386","0.0006","74.717","0.004","83.855","0.002","89.388","0.002","1187.71","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 F2 N2 S2 -","- C28 H22 F2 N2 S2 -","- C56 H44 F4 N4 S4 -","2","1","","Maegawa, Rikuto; Kitagawa, Daichi; Hamatani, Shota; Kobatake, Seiya","Rational design of photochromic diarylbenzene with both high photoreactivity and fast thermal back reactivity","New Journal of Chemistry","2021","45","40","18969","18975","10.1039/D1NJ04047B","","","0.7107","MoKα","","0.0411","0.0375","","","0.0929","0.0963","","","","","","1.047","","","","has coordinates","270489","2021-11-06","20:32:46",""
"7060995","9.0824","0.0005","19.6538","0.0009","15.242","0.0008","90","","99.908","0.002","90","","2680.2","0.2","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 F2 N2 S2 -","- C30 H26 F2 N2 S2 -","- C120 H104 F8 N8 S8 -","4","1","","Maegawa, Rikuto; Kitagawa, Daichi; Hamatani, Shota; Kobatake, Seiya","Rational design of photochromic diarylbenzene with both high photoreactivity and fast thermal back reactivity","New Journal of Chemistry","2021","45","40","18969","18975","10.1039/D1NJ04047B","","","0.71075","MoKα","","0.0562","0.0485","","","0.1095","0.1152","","","","","","1.12","","","","has coordinates","270489","2021-11-06","20:32:47",""
"7060996","15.9625","0.0014","15.315","0.0013","8.0607","0.0007","90","","95.794","0.004","90","","1960.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br0.3 Cl0.7 Ir N3 -","- C21 H23 Br0.296 Cl0.704 Ir N3 -","- C84 H92 Br1.184 Cl2.816 Ir4 N12 -","4","1","","Li, Rong-Jian; Wang, Yang; Jin, Yan; Deng, Wei; Liu, Zhen-Jiang; Yao, Zi-Jian","NHC ligand-based half-sandwich iridium complexes: synthesis, structure and catalytic activity in acceptorless dehydrogenation and transfer hydrogenation","New Journal of Chemistry","2021","45","40","19002","19010","10.1039/D1NJ03824A","","","1.34138","GaKα","","0.0478","0.0342","","","0.0742","0.0801","","","","","","1.054","","","","has coordinates","270488","2021-11-06","20:32:40",""
"7060997","13.6569","0.0008","8.7972","0.0005","16.3348","0.001","90","","102.717","0.002","90","","1914.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl0.35 I0.65 Ir N2 -","- C20 H24 Cl0.35 I0.65 Ir N2 -","- C80 H96 Cl1.4 I2.6 Ir4 N8 -","4","1","","Li, Rong-Jian; Wang, Yang; Jin, Yan; Deng, Wei; Liu, Zhen-Jiang; Yao, Zi-Jian","NHC ligand-based half-sandwich iridium complexes: synthesis, structure and catalytic activity in acceptorless dehydrogenation and transfer hydrogenation","New Journal of Chemistry","2021","45","40","19002","19010","10.1039/D1NJ03824A","","","1.34138","GaKα","","0.0305","0.0255","","","0.0587","0.0611","","","","","","1.111","","","","has coordinates","270488","2021-11-06","20:32:40",""
"7060998","13.937","0.005","11.056","0.003","15.432","0.004","90","","94.595","0.01","90","","2370.2","1.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 O5 -","- C29 H24 O5 -","- C116 H96 O20 -","4","1","","Xu, Feng-Shun; Yan, Chen; Sun, Jing; Yan, Chao-Guo","Efficient synthesis of tetra- and penta-substituted benzenes via a domino annulation reaction of a pyridinium ylide and chalcone o-enolate","New Journal of Chemistry","2021","45","42","19666","19670","10.1039/D1NJ03772B","","","0.71073","MoKα","","0.1317","0.055","","","0.1106","0.1371","","","","","","1.017","","","","has coordinates","270481","2021-11-06","20:31:21",""
"7060999","9.642","0.0009","9.6811","0.001","14.0972","0.0013","83.296","0.003","76.282","0.003","66.624","0.003","1173.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 Cl O5 -","- C28 H21 Cl O5 -","- C56 H42 Cl2 O10 -","2","1","","Xu, Feng-Shun; Yan, Chen; Sun, Jing; Yan, Chao-Guo","Efficient synthesis of tetra- and penta-substituted benzenes via a domino annulation reaction of a pyridinium ylide and chalcone o-enolate","New Journal of Chemistry","2021","45","42","19666","19670","10.1039/D1NJ03772B","","","0.71073","MoKα","","0.072","0.042","","","0.0903","0.1034","","","","","","1.014","","","","has coordinates,has disorder","270481","2021-11-06","20:31:24",""
"7061000","4.93","0.0015","15.558","0.005","14.566","0.005","90","","91.349","0.004","90","","1116.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs Li5 O12 S3 -","- Cs Li5 O12 S3 -","- Cs4 Li20 O48 S12 -","4","1","","Yan, Yuchen; Chen, Yanna; Jiang, Bao; Jing, Qun; Zhang, Jun","Li5Cs(SO4)3: a potential zero-order wave plate material with short deep-ultraviolet cutoff edge","New Journal of Chemistry","2021","45","42","19883","19888","10.1039/D1NJ03883D","","","0.71073","MoKα","","0.0585","0.0384","","","0.078","0.0864","","","","","","1.053","","","","has coordinates","270471","2021-11-06","20:29:44",""
"7061001","21.0546","0.0005","13.3289","0.0003","30.177","0.0007","90","","91.394","0.002","90","","8466.2","0.3","150","0.3","150","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 O4 P2 S4 Zn -","- C40 H52 O4 P2 S4 Zn -","- C320 H416 O32 P16 S32 Zn8 -","8","1","","Kumar, Pretam; Frontera, Antonio; Pandey, Sushil K.","Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand","New Journal of Chemistry","2021","45","41","19402","19415","10.1039/D1NJ03165A","","x-ray","0.71073","MoKα","","0.0977","0.0673","","","0.1733","0.2016","","","","","","1.019","","","","has coordinates","270467","2021-11-06","20:28:57",""
"7061002","12.083","0.003","13.084","0.003","16.602","0.003","70.284","0.018","88.794","0.017","62.94","0.03","2172.7","1.1","150.01","0.15","150","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C80 H104 Cd2 O8 P4 S8 -","- C80 H104 Cd2 O8 P4 S8 -","- C80 H104 Cd2 O8 P4 S8 -","1","0.5","","Kumar, Pretam; Frontera, Antonio; Pandey, Sushil K.","Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand","New Journal of Chemistry","2021","45","41","19402","19415","10.1039/D1NJ03165A","","x-ray","0.71073","MoKα","","0.1708","0.1284","","","0.2987","0.3939","","","","","","1.134","","","","has coordinates","270467","2021-11-06","20:28:57",""
"7061003","10.7902","0.0003","12.9624","0.0004","17.946","0.0006","90","","90","","90","","2510.05","0.13","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 K2 N8 O10 -","- C4 K2 N8 O10 -","- C32 K16 N64 O80 -","8","1","","Guo, Benyue; Zhang, Xiya; Lin, Xiangyang; Huang, Haifeng; Yang, Jun","Combining potassium with positive oxygen-balanced polynitropyrazole: a promising way to develop green primary explosives","New Journal of Chemistry","2021","45","43","20426","20431","10.1039/D1NJ04452D","","","0.71073","MoKα","","0.0403","0.0285","","","0.0627","0.0686","","","","","","1.057","","","","has coordinates","271189","2021-12-07","03:38:48",""
"7061004","11.266","0.006","6.3213","0.0019","19.213","0.007","90","","103.155","0.017","90","","1332.4","1","140","","140","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 K N8 O12 -","- C4 H5 K N8 O12 -","- C16 H20 K4 N32 O48 -","4","1","","Guo, Benyue; Zhang, Xiya; Lin, Xiangyang; Huang, Haifeng; Yang, Jun","Combining potassium with positive oxygen-balanced polynitropyrazole: a promising way to develop green primary explosives","New Journal of Chemistry","2021","45","43","20426","20431","10.1039/D1NJ04452D","","","0.71073","MoKα","","0.1183","0.0686","","","0.1131","0.1311","","","","","","1.075","","","","has coordinates","271189","2021-12-07","03:38:48",""
"7061005","9.37","0.02","21.01","0.04","13.22","0.03","90","","102.98","0.03","90","","2536","9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenyl(4-(2,4,5-triphenyl-1H-imidazol-1-yl)phenyl)methanone","","- C34 H24 N2 O -","- C34 H24 N2 O -","- C136 H96 N8 O4 -","4","1","","Grybauskaitė-Kaminskienė, Gintarė; Dudkaitė, Vygailė; Bagdžiūnas, Gintautas","Photophysical and semiconducting properties of isomeric triphenylimidazole derivatives with a benzophenone moiety","New Journal of Chemistry","2021","45","42","19746","19754","10.1039/D1NJ02149D","","","0.71075","MoKα","","","0.0877","","","","0.2388","","","","","","1.082","","","","has coordinates","270470","2021-11-06","20:29:39",""
"7061006","10.211","0.012","10.579","0.012","12.37","0.013","99.133","0.017","99.016","0.017","92.7263","0.001","1299","3","293","","293","","","","","","","","","4","P -1","-P 1","2","","phenyl(3-(2,4,5-triphenyl-1H-imidazol-1-yl)phenyl)methanone","","- C34 H24 N2 O -","- C34 H24 N2 O -","- C68 H48 N4 O2 -","2","1","","Grybauskaitė-Kaminskienė, Gintarė; Dudkaitė, Vygailė; Bagdžiūnas, Gintautas","Photophysical and semiconducting properties of isomeric triphenylimidazole derivatives with a benzophenone moiety","New Journal of Chemistry","2021","45","42","19746","19754","10.1039/D1NJ02149D","","","0.71075","MoKα","","","0.0589","","","","0.1772","","","","","","0.972","","","","has coordinates","270470","2021-11-06","20:29:39",""
"7061007","7.4297","0.0002","10.377","0.0003","10.9734","0.0004","66.911","0.003","74.016","0.003","87.852","0.002","745.79","0.05","169.97","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H36 Co2 Mo2 N8 O27 -","- C8 H36 Co2 Mo2 N8 O27 -","- C8 H36 Co2 Mo2 N8 O27 -","1","0.5","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","","1.54184","CuKα","","0.0355","0.0343","","","0.0911","0.0919","","","","","","1.075","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061008","9.3392","0.0004","28.0114","0.0009","9.6973","0.0004","90","","102.988","0.004","90","","2471.95","0.17","169.98","0.1","169.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Co2 H31 Mo5 N7 O23 -","- Co2 H21 Mo5 N7 O23 -","- Co8 H84 Mo20 N28 O92 -","4","1","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","x-ray","1.54184","CuKα","","0.0673","0.0623","","","0.1458","0.1488","","","","","","1.078","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061009","16.6637","0.0003","16.6637","0.0003","23.1974","0.0006","90","","90","","90","","6441.4","0.2","298","","298","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C8 H60 Co4 Mo12 N16 O62 Si -","- C8 H60 Co4 Mo12 N16 O62 Si -","- C32 H240 Co16 Mo48 N64 O248 Si4 -","4","0.25","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","x-ray","0.71073","MoKα","","0.0411","0.0315","","","0.07","0.0746","","","","","","1.087","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061010","8.0975","0.0002","11.9126","0.0003","15.0744","0.0004","90","","100.603","0.002","90","","1429.28","0.06","150","0.2","150","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Co Mo N4 Na O13 -","- C4 H16 Co Mo N4 Na O13 -","- C16 H64 Co4 Mo4 N16 Na4 O52 -","4","1","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","","0.71073","MoKα","","0.0304","0.022","","","0.068","0.0691","","","","","","1.077","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061011","8.5102","0.0001","13.7353","0.0002","13.9551","0.0001","95.081","0.001","107.172","0.001","102.579","0.001","1500.51","0.03","169.99","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H68 Co4 Mo8 N16 O52 -","- C8 H68 Co4 Mo8 N16 O52 -","- C8 H68 Co4 Mo8 N16 O52 -","1","0.5","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","","1.54184","CuKα","","0.0344","0.0326","","","0.0857","0.0868","","","","","","1.044","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061012","8.5113","0.0001","13.7625","0.0002","13.9561","0.0002","93.016","0.001","107.318","0.001","103.223","0.001","1506.42","0.04","169.98","0.1","169.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H72 Co4 Mo8 N16 O54 -","- C8 H72 Co4 Mo8 N16 O54 -","- C8 H72 Co4 Mo8 N16 O54 -","1","0.5","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","x-ray","1.54184","CuKα","","0.0656","0.0613","","","0.171","0.1782","","","","","","1.067","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061013","12.8695","0.0004","17.6441","0.0005","25.3842","0.0007","103.533","0.002","101.392","0.002","106.284","0.002","5160.9","0.3","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H62 Co4 Mo3 N16 O43 -","- C14 H52 Co4 Mo3 N16 O43 -","- C56 H208 Co16 Mo12 N64 O172 -","4","2","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","","0.71073","MoKα","","0.0927","0.0599","","","0.1512","0.1601","","","","","","1.026","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061014","14.4401","0.0014","14.7764","0.0013","13.9147","0.0012","90","","90.855","0.003","90","","2968.7","0.5","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H36 Br8 N2 Sn -","- C16 H36 Br8 N2 Sn -","- C64 H144 Br32 N8 Sn4 -","4","0.5","","Liu, Yao; Li, Yu-Kong; Ying, Ting-Ting; Tan, Yu-Hui; Tang, Yun-Zhi; Han, Ding-Chong; Du, Peng-kang; Zhang, Hao","Multisequential reversible phase transition materials with semiconducting and fluorescence properties: (C8H18BrN)2SnBr6","New Journal of Chemistry","2021","45","44","20721","20725","10.1039/D1NJ04448F","","","0.71073","MoKα","","0.1101","0.061","","","0.1101","0.1331","","","","","","1.031","","","","has coordinates,has disorder","271184","2021-12-07","03:37:47",""
"7061015","12.2787","0.0016","10.7136","0.0013","10.636","0.0014","90","","107.998","0.004","90","","1330.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br N O5 -","- C12 H16 Br N O5 -","- C48 H64 Br4 N4 O20 -","4","1","","Saha, Urmila; Mabhai, Subhabrata; Das, Bhriguram; Kumar, Gopinatha Suresh; Brandão, Paula; Dolai, Malay","Combined theoretical and experimental investigation of a DNA interactive poly-hydroxyl enamine tautomer exhibiting “turn on” sensing for Zn2+ in pseudo-aqueous medium","New Journal of Chemistry","2021","45","44","20806","20817","10.1039/D1NJ03510J","","","0.71073","MoKα","","0.0583","0.037","","","0.0717","0.0789","","","","","","1.02","","","","has coordinates","271183","2021-12-07","03:37:37",""
"7061016","11.8752","0.0005","12.2144","0.0004","13.2972","0.0006","97.241","0.003","99.345","0.004","90.658","0.003","1886.96","0.13","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Li4 O24 S4 -","- C28 H36 Li4 O24 S4 -","- C56 H72 Li8 O48 S8 -","2","1","","Pisareva, Anna V.; Shilov, Gennady V.; Karelin, Alexander I.; Pisarev, Rostislav V.; Bukun, Nadezhghda G.; Chernyak, Alexander V.; Aldoshin, Sergey M.; Dobrovolsky, Yury A.","Structure and ionic conductivity of the octahydrate of tetralithium salt of calix[4]arenesulfonic acid","New Journal of Chemistry","2021","45","45","21100","21107","10.1039/D1NJ04057J","","","0.7107","MoKα","","0.0552","0.0407","","","0.0949","0.1017","","","","","","1.029","","","","has coordinates","271203","2021-12-07","03:42:11",""
"7061017","9.6415","0.0007","9.7108","0.0008","11.1357","0.0009","90","","97.262","0.001","90","","1034.24","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C46 H50 N2 O6 -","2","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.0962","0.0619","","","0.1572","0.1804","","","","","","1.034","","","","has coordinates","271187","2021-12-07","03:38:19",""
"7061018","9.5094","0.0005","18.3294","0.0009","12.3185","0.0006","90","","96.75","0.001","90","","2132.25","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","2","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.063","0.0447","","","0.1055","0.1155","","","","","","1.013","","","","has coordinates","271187","2021-12-07","03:38:20",""
"7061019","9.0522","0.0005","13.559","0.0007","16.6684","0.0009","90","","90","","90","","2045.86","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F N O3 -","- C23 H24 F N O3 -","- C92 H96 F4 N4 O12 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.0538","0.0403","","","0.0943","0.1007","","","","","","1.03","","","","has coordinates","271187","2021-12-07","03:38:20",""
"7061020","9.1174","0.0007","13.0496","0.0011","16.4573","0.0013","90","","97.831","0.002","90","","1939.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.1205","0.0575","","","0.1175","0.1393","","","","","","1.015","","","","has coordinates","271187","2021-12-07","03:38:20",""
"7061021","13.0861","0.0007","9.8938","0.0005","16.1156","0.0008","90","","94.928","0.001","90","","2078.79","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.0716","0.0491","","","0.1303","0.145","","","","","","1.028","","","","has coordinates","271187","2021-12-07","03:38:20",""
"7061022","14.4126","0.0002","20.6834","0.0004","16.477","0.0003","90","","104.14","0.002","90","","4763","0.15","200","0.1","200","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C93 H77 Cd2 N7 O11 -","- C93 H77 Cd2 N7 O11 -","- C186 H154 Cd4 N14 O22 -","2","0.5","","Asad, Muhammad; Wang, Shan; Wang, Qian-You; Li, Lin-Ke; Anwar, Muhammad Imran; Younas, Ayesha; Zang, Shuang-Quan","Aqueous media ultra-sensitive detection of antibiotics via highly stable luminescent 3D Cadmium-based MOF","New Journal of Chemistry","2021","45","44","20887","20894","10.1039/D1NJ04413C","","x-ray","1.54184","CuKα","","0.0798","0.0574","","","0.1524","0.1627","","","","","","1.05","","","","has coordinates","271186","2021-12-07","03:38:09",""
"7061023","10.9144","0.0005","8.5835","0.0004","15.515","0.0006","90","","101.152","0.002","90","","1426.06","0.11","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N3 O2 -","- C14 H14 Cl N3 O2 -","- C56 H56 Cl4 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Massanet, Bárbara; Frontera, Antonio; Barceló-Oliver, Miquel","Modified-amino acid/peptide pyrimidine analogs: synthesis, structural characterization and DFT studies of N-(pyrimidyl)gabapentine and N-(pyrimidyl)baclofen","New Journal of Chemistry","2021","45","47","22053","22061","10.1039/D1NJ04639J","","","1.54178","CuKα","","0.0524","0.0494","","","0.1347","0.1378","","","","","","1.029","","","","has coordinates","271861","2022-01-06","21:47:19",""
"7061024","16.6291","0.0018","7.1628","0.0008","10.9025","0.0011","90","","92.168","0.004","90","","1297.7","0.2","293.15","","293.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Massanet, Bárbara; Frontera, Antonio; Barceló-Oliver, Miquel","Modified-amino acid/peptide pyrimidine analogs: synthesis, structural characterization and DFT studies of N-(pyrimidyl)gabapentine and N-(pyrimidyl)baclofen","New Journal of Chemistry","2021","45","47","22053","22061","10.1039/D1NJ04639J","","","1.54178","CuKα","","0.0635","0.0629","","","0.1496","0.1505","","","","","","1.109","","","","has coordinates","271861","2022-01-06","21:47:20",""
"7061025","6.013","0.0004","21.3814","0.0014","10.2099","0.0006","90","","104.132","0.003","90","","1272.92","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Br4 N6 Pb -","- C3 H8 Br4 N6 Pb -","- C12 H32 Br16 N24 Pb4 -","4","1","","Msalmi, Rawia; Elleuch, Slim; Hamdi, Besma; Radicchi, Eros; Tozri, Anowar; Naïli, Houcine; Berber, Mohamed R.","Tunable broad-band white-light emission in two-dimensional (110)-oriented lead bromide perovskite (C3H8N6)[PbBr4]: optical, electronic and luminescence properties","New Journal of Chemistry","2021","45","44","20850","20859","10.1039/D1NJ03838A","","","0.71073","MoKα","","0.096","0.0561","","","0.1333","0.1569","","","","","","0.992","","","","has coordinates","271188","2021-12-07","03:38:25",""
"7061026","13.7368","0.0005","17.5335","0.0007","31.0162","0.0012","90","","90","","90","","7470.4","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Dy N13 O5 S3 -","- C26 H20 Dy N13 O3 S3 -","- C208 H160 Dy8 N104 O24 S24 -","8","1","","Chen, Peiqiong; Sun, Xiao; Guo, Xuefeng; Liu, Dan; Liu, Hou-Ting; Lu, Jing; Tian, Haiquan","A quasilinear hydrazone-based mononuclear dysprosium compound with C4v symmetry exhibiting field-induced complex magnetic relaxation","New Journal of Chemistry","2021","45","46","21708","21715","10.1039/D1NJ04620A","","","0.71073","MoKα","","0.0594","0.0349","","","0.0993","0.1397","","","","","","0.626","","","","has coordinates","271194","2021-12-07","03:40:19",""
"7061027","11.1894","0.0003","7.3513","0.0001","13.8269","0.0003","90","","111.428","0.003","90","","1058.74","0.04","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Mn0.5 N3 O S2 -","- C12 H24 Mn N6 O2 S4 -","- C24 H48 Mn2 N12 O4 S8 -","2","0.5","","Huang, Yao; Zhang, Tie; Chu, Lu-Lu; Zhang, Yi; Ge, Jia-Zhen; Fu, Da-Wei","A hybrid hydrochromic molecular crystal applicable to invisible ink with high reversibility","New Journal of Chemistry","2021","45","45","21006","21010","10.1039/D1NJ04470B","","x-ray","0.71073","MoKα","","0.0403","0.0359","","","0.1034","0.1075","","","","","","1.0355","","","","has coordinates","271201","2021-12-07","03:41:57",""
"7061028","12.9973","0.001","19.3514","0.0014","19.6063","0.0015","113.984","0.005","94.612","0.004","91.666","0.004","4480.6","0.6","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H60 N4 O4 -","- C51 H60 N4 O4 -","- C204 H240 N16 O16 -","4","2","","Martell, Mark; Ocheje, Michael U.; Gelfand, Benjamin S.; Rondeau-Gagné, Simon; Welch, Gregory C.","Sidechain engineering of N-annulated perylene diimide molecules","New Journal of Chemistry","2021","45","45","21001","21005","10.1039/D1NJ04423K","","x-ray","1.54178","CuKα","","0.1797","0.1162","","","0.212","0.2345","","","","","","0.942","","","","has coordinates,has disorder","271202","2021-12-07","03:42:06",""
"7061029","13.6654","0.0002","14.8503","0.0002","20.1186","0.0003","90","","92.85","0.001","90","","4077.72","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 N4 S8 -","- C44 H32 N4 S8 -","- C176 H128 N16 S32 -","4","1","","Dekhtiarenko, Maksym; Allain, Magali; Carré, Vincent; Aubriet, Frédéric; Voitenko, Zoia; Sallé, Marc; Goeb, Sébastien","Comparing the self-assembly processes of two redox-active exTTF-based regioisomer ligands","New Journal of Chemistry","2021","45","45","21015","21019","10.1039/D1NJ04555E","","","1.54184","CuKα","","0.0538","0.049","","","0.1314","0.1359","","","","","","1.035","","","","has coordinates","271204","2021-12-07","03:42:19",""
"7061030","9.4631","0.0002","13.7164","0.0003","15.5325","0.0003","91.745","0.002","97.906","0.002","105.7","0.002","1917.6","0.07","293","2","293","2","","","","","","","Rostov-on-Don, Russia","7","P -1","-P 1","2","","","","- C36 H27 Cl Cu F12 N2 O6 -","- C36 H27 Cl Cu F12 N2 O6 -","- C72 H54 Cl2 Cu2 F24 N4 O12 -","2","1","","Korchagin, D. V.; Ivakhnenko, E. P.; Demidov, O. P.; Akimov, A. V.; Morgunov, R. B.; Starikov, A. G.; Palii, A. V.; Minkin, V. I.; Aldoshin, S. M.","Field supported slow magnetic relaxation in a quasi-one-dimensional copper(ii) complex with a pentaheterocyclic triphenodioxazine","New Journal of Chemistry","2021","45","46","21912","21918","10.1039/D1NJ03217H","","x-ray","1.54184","CuKα","","0.0621","0.0467","","","0.1263","0.1404","","","","","","1.026","","","","has coordinates,has disorder","271196","2021-12-07","03:40:44",""
"7061031","6.963","0.002","8.591","0.001","10.532","0.002","105.2","0.02","97.89","0.02","109.8","0.02","554","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Mn N8 O10 -","- C16 H14 Mn N8 O10 -","- C16 H14 Mn N8 O10 -","1","0.5","","Gurskiy, Stanislav I.; Maklakov, Sergey S.; Dmitrieva, Natalia E.; Tafeenko, Viktor A.","Effects of transition metal cations and temperature on the luminescence of a 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate anion","New Journal of Chemistry","2021","45","46","21684","21691","10.1039/D1NJ01225H","","","1.54184","CuKα","","0.0506","0.0389","","","0.0985","0.1053","","","","","","1.076","","","","has coordinates","271195","2021-12-07","03:40:39",""
"7061032","7.054","0.0006","7.9485","0.0006","9.4149","0.0007","90.829","0.006","110.004","0.006","93.622","0.006","494.68","0.07","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 N8 O8 Zn -","- C16 H10 N8 O8 Zn -","- C16 H10 N8 O8 Zn -","1","0.5","","Gurskiy, Stanislav I.; Maklakov, Sergey S.; Dmitrieva, Natalia E.; Tafeenko, Viktor A.","Effects of transition metal cations and temperature on the luminescence of a 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate anion","New Journal of Chemistry","2021","45","46","21684","21691","10.1039/D1NJ01225H","","","0.71073","MoKα","","0.172","0.0764","","","0.1875","0.2706","","","","","","0.963","","","","has coordinates","271195","2021-12-07","03:40:39",""
"7061033","9.0953","0.0008","11.3783","0.001","13.6591","0.0012","110.681","0.003","93.121","0.003","92.453","0.003","1317.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H38 Eu2 F8 O18 -","- C56 H38 Eu2 F8 O18 -","- C56 H38 Eu2 F8 O18 -","1","0.5","","Tubau, Ànnia; Rodríguez, Laura; Lázaro, Ariadna; Vicente, Ramon; Font-Bardía, Mercè","Improving the emission quantum yield in dinuclear Eu(iii) and Tb(iii) complexes with 2-fluorobenzoate","New Journal of Chemistry","2021","45","47","22208","22215","10.1039/D1NJ04335H","","","0.71073","MoKα","","0.0237","0.0199","","","0.044","0.0467","","","","","","1.104","","","","has coordinates","271854","2022-01-06","21:46:10",""
"7061034","13.252","0.002","4.7966","0.0008","17.536","0.003","90","","105.273","0.005","90","","1075.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 N12 O2 -","- C5 H4 N12 O2 -","- C20 H16 N48 O8 -","4","1","","Lang, Qing; Wang, Qian; Lin, Qiuhan; Xu, Yuangang; Lu, Ming","C5H2N14O6: achieving azido-based materials with zero oxygen balance and good energetic performance","New Journal of Chemistry","2021","45","44","20542","20546","10.1039/D1NJ04188F","","","0.71073","MoKα","","0.0789","0.0407","","","0.0884","0.1007","","","","","","1.013","","","","has coordinates","271185","2021-12-07","03:37:52",""
"7061035","9.7238","0.0009","6.6508","0.0006","20.1429","0.0018","90","","92.855","0.004","90","","1301","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H2 N14 O6 -","- C5 H2 N14 O6 -","- C20 H8 N56 O24 -","4","1","","Lang, Qing; Wang, Qian; Lin, Qiuhan; Xu, Yuangang; Lu, Ming","C5H2N14O6: achieving azido-based materials with zero oxygen balance and good energetic performance","New Journal of Chemistry","2021","45","44","20542","20546","10.1039/D1NJ04188F","","","0.71073","MoKα","","0.0872","0.048","","","0.098","0.1121","","","","","","1.034","","","","has coordinates","271185","2021-12-07","03:37:53",""
"7061036","9.253","0.0004","12.484","0.0006","21.9892","0.0009","90","","93.781","0.003","90","","2534.54","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Cl2 N3 Pd -","- C27 H27 Cl2 N3 Pd -","- C108 H108 Cl8 N12 Pd4 -","4","1","","Hamdi, N.; Slimani, I.; Mansour, L.; Alresheedi, Faisal; Gürbüz, N.; Özdemir, I.","N-Heterocyclic carbene-palladium-PEPPSI complexes and their catalytic activity in the direct C–H bond activation of heteroarene derivatives with aryl bromides: synthesis, and antimicrobial and antioxidant activities","New Journal of Chemistry","2021","45","45","21248","21262","10.1039/D1NJ04606C","","","0.71073","MoKα","","0.0721","0.0367","","","0.0748","0.0826","","","","","","0.882","","","","has coordinates,has disorder","271199","2021-12-07","03:41:43",""
"7061037","9.52763","0.0001","22.8402","0.0002","12.17728","0.00014","90","","95.6178","0.001","90","","2637.21","0.05","100","","100","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","(2'R,4'S,5'S)-1''-benzyl-4'-phenyl-5'-(trifluoromethyl)dispiro[indene-2,3'-pyrrolidine-2',3''-indoline]-1,2'',3-trione","5a","","- C33 H23 F3 N2 O3 -","- C33 H23 F3 N2 O3 -","- C132 H92 F12 N8 O12 -","4","1","","Duffy, Conor; Roe, William E.; Harkin, Aislinn M.; McNamee, Ryan; Knipe, Peter C.","Enantioselective organocatalytic formal [3+2]-cycloaddition of isatin-derived ketimines with benzylidenemalononitriles and benzylidineindanones","New Journal of Chemistry","2021","45","47","22034","22038","10.1039/D1NJ04002B","","","1.5418","CuKα","","0.0489","0.0456","","0.1231","0.1176","0.1231","","","","","","0.9972","","","","has coordinates","271855","2022-01-06","21:46:22",""
"7061038","11.6334","0.0006","6.6182","0.0004","16.7064","0.0009","90","","91.462","0.005","90","","1285.84","0.12","150","","150","","","","100","","","","","5","P 1 21 1","P 2yb","4","(3R,4'S,5'S)-1-benzyl-4'-(naphthalen-2-yl)-2-oxo-5'-(trifluoromethyl)spiro[indoline-3,2'-pyrrolidine]-3',3'-dicarbonitrile","3d","","- C31 H21 F3 N4 O -","- C31 H21 F3 N4 O -","- C62 H42 F6 N8 O2 -","2","1","","Duffy, Conor; Roe, William E.; Harkin, Aislinn M.; McNamee, Ryan; Knipe, Peter C.","Enantioselective organocatalytic formal [3+2]-cycloaddition of isatin-derived ketimines with benzylidenemalononitriles and benzylidineindanones","New Journal of Chemistry","2021","45","47","22034","22038","10.1039/D1NJ04002B","","","1.5418","CuKα","","0.116","0.1081","","0.3538","0.3428","0.3538","","","","","","1.6196","","","","has coordinates,has disorder","271855","2022-01-06","21:46:22",""
"7061039","11.8475","0.00001","13.5471","0.00001","15.2567","0.000014","90","","90","","90","","2448.69","0.004","100","","100","","","","100","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","(-)-3l (major)","ethyl (3R,3'S,4'S,5'S)-1-benzyl-3'-cyano-2-oxo-4'-phenyl-5'-(trifluoromethyl)spiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C29 H24 F3 N3 O3 -","- C29 H24 F3 N3 O3 -","- C116 H96 F12 N12 O12 -","4","1","","Duffy, Conor; Roe, William E.; Harkin, Aislinn M.; McNamee, Ryan; Knipe, Peter C.","Enantioselective organocatalytic formal [3+2]-cycloaddition of isatin-derived ketimines with benzylidenemalononitriles and benzylidineindanones","New Journal of Chemistry","2021","45","47","22034","22038","10.1039/D1NJ04002B","","","1.5418","CuKα","","0.0258","0.0255","","0.0642","0.0639","0.0642","","","","","","0.936","","","","has coordinates","271855","2022-01-06","21:46:22",""
"7061040","8.9131","0.0004","11.8184","0.0004","21.8914","0.0009","91.003","0.003","95.825","0.004","106.344","0.004","2198.83","0.16","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N4 S -","- C26 H24 N4 S -","- C104 H96 N16 S4 -","4","2","","Bhuin, Shouvik; Bhattacharya, Suman; Chakravarty, Manab","Acceptor–donor–acceptor-linked triphenylamine and phenothiazine motifs as cousin molecules: the methyl effect on stimuli-responsiveness, crystallochromism, and dual-state emission","New Journal of Chemistry","2021","45","45","21236","21247","10.1039/D1NJ04190H","","x-ray","1.54184","CuKα","","0.0738","0.0671","","","0.1872","0.1933","","","","","","1.061","","","","has coordinates,has disorder","271198","2021-12-07","03:41:27",""
"7061041","17.0172","0.0003","14.7978","0.0003","8.29705","0.00016","90","","98.9384","0.0018","90","","2063.97","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 -","- C26 H18 N4 -","- C104 H72 N16 -","4","1","","Bhuin, Shouvik; Bhattacharya, Suman; Chakravarty, Manab","Acceptor–donor–acceptor-linked triphenylamine and phenothiazine motifs as cousin molecules: the methyl effect on stimuli-responsiveness, crystallochromism, and dual-state emission","New Journal of Chemistry","2021","45","45","21236","21247","10.1039/D1NJ04190H","","x-ray","1.54184","CuKα","","0.0841","0.067","","","0.1902","0.2056","","","","","","1.059","","","","has coordinates","271198","2021-12-07","03:41:38",""
"7061042","10.142","0.0005","9.8864","0.0006","21.3253","0.0012","90","","97.274","0.005","90","","2121","0.2","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","MTPADCA","","","- C27 H20 N4 -","- C27 H20 N4 -","- C108 H80 N16 -","4","1","","Bhuin, Shouvik; Bhattacharya, Suman; Chakravarty, Manab","Acceptor–donor–acceptor-linked triphenylamine and phenothiazine motifs as cousin molecules: the methyl effect on stimuli-responsiveness, crystallochromism, and dual-state emission","New Journal of Chemistry","2021","45","45","21236","21247","10.1039/D1NJ04190H","","x-ray","0.71073","MoKα","","0.0733","0.0502","","","0.1284","0.1438","","","","","","1.035","","","","has coordinates","271198","2021-12-07","03:41:38",""
"7061043","42.8295","0.0013","9.8166","0.0003","19.5245","0.0006","90","","95.51","0.002","90","","8171","0.4","192.99","","192.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H38 N4 -","- C55 H38 N4 -","- C440 H304 N32 -","8","2","","Guo, Shengmei; Zhang, Gaobin; Chen, Fangjie; Ni, Yingyong; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang","Multi-stimuli responsive properties and structure–property studies of tetraphenylethylene functionalized arylimidazole derivatives","New Journal of Chemistry","2021","45","45","21327","21333","10.1039/D1NJ04428A","","","0.71073","MoKα","","0.1652","0.0705","","","0.1772","0.2333","","","","","","0.95","","","","has coordinates,has disorder","271200","2021-12-07","03:41:52",""
"7061044","12.057","","12.616","","16.803","","70.51","","86.9","","64.39","","2160.51","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H38 Cl2 N4 -","- C56 H38 Cl2 N4 -","- C112 H76 Cl4 N8 -","2","1","","Guo, Shengmei; Zhang, Gaobin; Chen, Fangjie; Ni, Yingyong; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang","Multi-stimuli responsive properties and structure–property studies of tetraphenylethylene functionalized arylimidazole derivatives","New Journal of Chemistry","2021","45","45","21327","21333","10.1039/D1NJ04428A","","","1.54186","CuKα","","0.0509","0.0483","","","0.1408","0.1451","","","","","","1.061","","","","has coordinates","271200","2021-12-07","03:41:52",""
"7061045","10.629","0.004","12.451","0.004","15.252","0.005","68.755","0.018","77.07","0.02","74.08","0.02","1791.6","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C34.3 H41.56 N3.65 O11 Ru -","- C34.302 H41.557 N3.651 O11 Ru -","- C68.604 H83.114 N7.302 O22 Ru2 -","2","1","","Sato, Hiroki; Tsukamoto, Tadashi; Sogawa, Hiromitsu; Kuwata, Shigeki; Takata, Toshikazu","Ruthenium macrocycles bearing pyridine bis(carboxamide): synthesis, structure, and catalytic activity for hydrosilylation","New Journal of Chemistry","2021","45","39","18282","18289","10.1039/D0NJ06133F","","","0.71075","MoKα","","0.0668","0.049","","","0.1146","0.1229","","","","","","0.986","","","","has coordinates,has disorder","270327","2021-11-05","22:51:37",""
"7061046","10.696","0.002","22.632","0.005","11.846","0.003","90","","102.617","0.003","90","","2798.3","1.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 O8 Ru -","- C28 H30 N4 O8 Ru -","- C112 H120 N16 O32 Ru4 -","4","1","","Sato, Hiroki; Tsukamoto, Tadashi; Sogawa, Hiromitsu; Kuwata, Shigeki; Takata, Toshikazu","Ruthenium macrocycles bearing pyridine bis(carboxamide): synthesis, structure, and catalytic activity for hydrosilylation","New Journal of Chemistry","2021","45","39","18282","18289","10.1039/D0NJ06133F","","","0.71075","MoKα","","0.0431","0.0344","","","0.0865","0.0905","","","","","","1.026","","","","has coordinates","270327","2021-11-05","22:51:38",""
"7061047","12.906","0.008","13.325","0.008","14.696","0.008","78.66","0.03","73.19","0.03","84.04","0.03","2369","2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 N3 O11 P Ru -","- C51 H52 N3 O11 P Ru -","- C102 H104 N6 O22 P2 Ru2 -","2","1","","Sato, Hiroki; Tsukamoto, Tadashi; Sogawa, Hiromitsu; Kuwata, Shigeki; Takata, Toshikazu","Ruthenium macrocycles bearing pyridine bis(carboxamide): synthesis, structure, and catalytic activity for hydrosilylation","New Journal of Chemistry","2021","45","39","18282","18289","10.1039/D0NJ06133F","","","0.71075","MoKα","","0.0784","0.0573","","","0.1374","0.1454","","","","","","0.896","","","","has coordinates","270327","2021-11-05","22:51:38",""
"7061048","12.256","0.003","20.547","0.004","23.363","0.005","99.334","0.003","99.324","0.004","98.5572","0.0016","5635","2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H71 Cl4 N3 O16 P2 Ru -","- C46 H71 Cl4 N3 O16 P2 Ru -","- C184 H284 Cl16 N12 O64 P8 Ru4 -","4","2","","Sato, Hiroki; Tsukamoto, Tadashi; Sogawa, Hiromitsu; Kuwata, Shigeki; Takata, Toshikazu","Ruthenium macrocycles bearing pyridine bis(carboxamide): synthesis, structure, and catalytic activity for hydrosilylation","New Journal of Chemistry","2021","45","39","18282","18289","10.1039/D0NJ06133F","","","0.71075","MoKα","","0.1011","0.0761","","","0.1874","0.2095","","","","","","1.065","","","","has coordinates,has disorder","270327","2021-11-05","22:51:38",""
"7061049","14.008","0.015","23.22","0.02","16.11","0.017","90","","99.568","0.015","90","","5167","9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H59 Cl2 N11 O12 Zn2 -","- C46 H59 Cl2 N11 O12 Zn2 -","- C184 H236 Cl8 N44 O48 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.1432","0.078","","","0.2322","0.2721","","","","","","1.046","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061050","14.2217","0.0007","22.1402","0.0012","15.7926","0.0008","90","","98.363","0.002","90","","4919.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 B2 F8 N10 O S Zn2 -","- C45 H54 B2 F8 N10 O S Zn2 -","- C180 H216 B8 F32 N40 O4 S4 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0873","0.0746","","","0.2048","0.2152","","","","","","1.056","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061051","13.9245","0.0012","22.212","0.002","15.4664","0.0015","90","","95.075","0.003","90","","4764.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 B2 F8 N10 O3 Zn2 -","- C45 H52 B2 F8 N10 O3 Zn2 -","- C180 H208 B8 F32 N40 O12 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0905","0.0784","","","0.1912","0.2","","","","","","1.06","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061052","14.0208","0.0003","22.8093","0.0006","15.7151","0.0004","90","","95.988","0.001","90","","4998.3","0.2","145","2","145.35","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Cl2 N10 O11 S Zn2 -","- C46 H54 Cl2 N10 O11 S Zn2 -","- C184 H216 Cl8 N40 O44 S4 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0804","0.0712","","","0.1912","0.1974","","","","","","1.076","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061053","13.2634","0.0016","13.5038","0.0016","19.653","0.003","99.629","0.004","101.399","0.004","115.316","0.004","2990.6","0.7","148","2","148.07","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H68 Cl2 N12 O12 S Zn2 -","- C53 H61 Cl2 N11 O11 S Zn2 -","- C106 H122 Cl4 N22 O22 S2 Zn4 -","2","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0643","0.055","","","0.1402","0.147","","","","","","1.093","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061054","28.8019","0.0006","15.1522","0.0003","29.4177","0.0006","90","","111.435","0.001","90","","11950.3","0.4","146","2","146","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H68 B2 F8 N12 O5 S Zn2 -","- C56 H68 B2 F8 N12 O5 S Zn2 -","- C448 H544 B16 F64 N96 O40 S8 Zn16 -","8","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0898","0.0811","","","0.211","0.2181","","","","","","1.04","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061055","13.9848","0.0004","23.1682","0.0007","16.0316","0.0005","90","","98.549","0.001","90","","5136.6","0.3","146","2","146","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Cl2 N10 O11 Zn2 -","- C50 H54 Cl2 N10 O11 Zn2 -","- C200 H216 Cl8 N40 O44 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0961","0.0821","","","0.1885","0.1955","","","","","","1.111","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061056","14.0295","0.0005","23.0096","0.0008","15.9146","0.0006","90","","96.565","0.001","90","","5103.8","0.3","148.52","","148.52","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 Cl2 N10 O10 S Zn2 -","- C45 H52 Cl2 N10 O10 S Zn2 -","- C180 H208 Cl8 N40 O40 S4 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0963","0.0855","","","0.2063","0.2128","","","","","","1.095","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061057","11.5599","0.0002","8.4029","0.0002","13.1796","0.0004","90","","98.316","0.001","90","","1266.76","0.05","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H13 N6 O11 Zn -","- C2 H13 N6 O11 Zn -","- C8 H52 N24 O44 Zn4 -","4","1","","Gong, Lishan; Chen, Guo; Liu, Yue; Wang, Tingwei; Zhang, Jianguo; Yi, Xiaoyi; He, Piao","Energetic metal–organic frameworks achieved from furazan and triazole ligands: synthesis, crystal structure, thermal stability and energetic performance","New Journal of Chemistry","2021","45","47","22299","22305","10.1039/D1NJ04486A","","","0.71073","MoKα","","0.0256","0.0231","","","0.0619","0.0634","","","","","","1.086","","","","has coordinates,has disorder","271860","2022-01-06","21:47:13",""
"7061058","12.7807","0.0003","9.5182","0.0003","17.9186","0.0004","90","","107.452","0.002","90","","2079.45","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl2 Co3 N2 O14 -","- C34 H38 Cl2 Co3 N2 O14 -","- C68 H76 Cl4 Co6 N4 O28 -","2","0.5","","Ma, Zhen-Zhen; Ma, Yao; Liu, Bing; Xu, Ling; Jiao, Huan","A high-performance Co-MOF non-enzymatic electrochemical sensor for glucose detection","New Journal of Chemistry","2021","45","45","21350","21358","10.1039/D1NJ04480J","","","1.54178","CuKα","","0.0816","0.0659","","","0.1659","0.1809","","","","","","1.054","","","","has coordinates,has disorder","271197","2021-12-07","03:41:17",""
"7061059","32.8455","0.0002","9.7087","0.0001","18.4035","0.0001","90","","93.606","0.001","90","","5857.02","0.08","179.99","0.1","179.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 Co3 N6 O20 -","- C48 H60 Co3 N6 O20 -","- C192 H240 Co12 N24 O80 -","4","0.5","","Ma, Zhen-Zhen; Ma, Yao; Liu, Bing; Xu, Ling; Jiao, Huan","A high-performance Co-MOF non-enzymatic electrochemical sensor for glucose detection","New Journal of Chemistry","2021","45","45","21350","21358","10.1039/D1NJ04480J","","","0.71073","MoKα","","0.0834","0.0805","","","0.2371","0.2399","","","","","","1.1","","","","has coordinates","271197","2021-12-07","03:41:17",""
"7061060","10.0708","0.0007","11.9149","0.0008","15.6475","0.0011","90","","90","","90","","1877.6","0.2","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Mn N4 O3 P S2 -","- C16 H16 Mn N4 O3 P S2 -","- C64 H64 Mn4 N16 O12 P4 S8 -","4","1","","Kaim, Vishakha; Kaur-Ghumaan, Sandeep","Mononuclear Mn complexes featuring N,S-/N,N-donor and 1,3,5-triaza-7-phosphaadamantane ligands: synthesis and electrocatalytic properties","New Journal of Chemistry","2021","45","43","20272","20279","10.1039/D1NJ02104D","","x-ray","0.71073","MoKα","","0.0536","0.0503","","","0.1255","0.1276","","","","","","1.08","","","","has coordinates","270557","2021-11-10","01:41:01",""
"7061061","13.734","0.006","12.91","0.006","12.794","0.006","90","","105.017","0.009","90","","2191","1.7","103","2","103","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C19.33 H17 B0.33 -","- C19.3333 H17 B0.333333 -","- C116 H102 B2 -","6","1.5","","Himeno, Ryoji; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis, crystal structure, solid-state optical property and C–H activation of sp3 carbon of highly-stable 1-(2′,6′-dimesitylphenyl)-2,3,4,5-tetraphenylborole","New Journal of Chemistry","2021","45","48","22569","22573","10.1039/D1NJ04666G","","","0.71075","MoKα","","0.1622","0.0722","","","0.1418","0.1752","","","","","","0.935","","","","has coordinates","271863","2022-01-06","21:47:41",""
"7061062","13.652","0.0009","12.8989","0.0006","12.7196","0.0007","90","","106.517","0.007","90","","2147.4","0.2","93","2","93","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C55 H52 B -","- C52 H45 B -","- C104 H90 B2 -","2","0.5","","Himeno, Ryoji; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis, crystal structure, solid-state optical property and C–H activation of sp3 carbon of highly-stable 1-(2′,6′-dimesitylphenyl)-2,3,4,5-tetraphenylborole","New Journal of Chemistry","2021","45","48","22569","22573","10.1039/D1NJ04666G","","","0.71075","MoKα","","0.1264","0.0796","","","0.1786","0.206","","","","","","1.075","","","","has coordinates","271863","2022-01-06","21:47:45",""
"7061063","10.887","0.0005","11.6042","0.0005","32.5768","0.0014","90","","92.69","0.007","90","","4111.1","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H52 B -","- C55 H52 B -","- C220 H208 B4 -","4","1","","Himeno, Ryoji; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis, crystal structure, solid-state optical property and C–H activation of sp3 carbon of highly-stable 1-(2′,6′-dimesitylphenyl)-2,3,4,5-tetraphenylborole","New Journal of Chemistry","2021","45","48","22569","22573","10.1039/D1NJ04666G","","","0.71075","MoKα","","0.0852","0.0533","","","0.1143","0.127","","","","","","1.012","","","","has coordinates","271863","2022-01-06","21:47:45",""
"7061064","10.5282","0.0006","12.3363","0.0006","13.9052","0.0009","100.973","0.002","108.398","0.002","103.231","0.002","1599.37","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 N5 O5 Zn -","- C33 H21 N5 O5 Zn -","- C66 H42 N10 O10 Zn2 -","2","1","","Li, Jing; Wu, Lin-Hui; Yao, Shu-Li; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","A multi-responsive MOF-based fluorescent probe for detecting Fe3+, Cr2O72− and acetylacetone","New Journal of Chemistry","2021","45","48","22915","22923","10.1039/D1NJ04628D","","","0.71073","MoKα","","0.1155","0.0581","","","0.1129","0.1314","","","","","","1","","","","has coordinates","271864","2022-01-06","21:47:50",""
"7061066","5.4902","0.0004","14.2399","0.0008","23.1491","0.0014","90","","104.323","0.006","90","","1753.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N O -","- C20 H17 Cl2 N O -","- C80 H68 Cl8 N4 O4 -","4","1","","Rokkam, Siva Kumar; Yadav, Mamta; Joshi, Mayank; Choudhury, Angshuman Roy; Sahal, Dinkar; Golakoti, Nageswara Rao","Synthesis, in vitro anti-plasmodial potency, in-silico-cum-SPR binding with inhibition of PfPyridoxal synthase and rapid parasiticidal action by 3,5-bis{(E) arylidene}-N-methyl-4-piperidones","New Journal of Chemistry","2021","45","47","22150","22165","10.1039/D1NJ04604G","","x-ray","0.71073","MoKα","","0.0941","0.0539","","","0.1383","0.1732","","","","","","1.032","","","","has coordinates","271858","2022-01-06","21:46:44",""
"7061069","7.4497","0.0002","15.2211","0.0005","19.6694","0.0006","90","","90","","90","","2230.36","0.12","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C100 H120 N8 O12 -","4","1","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.0519","0.0417","","","0.0888","0.1042","","","","","","1.17","","","","has coordinates","271866","2022-01-06","21:48:06",""
"7061070","11.0788","0.0017","7.5785","0.0011","11.6867","0.0018","90","","118.618","0.005","90","","861.3","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H28 Cl N -","- C18 H28 Cl N -","- C36 H56 Cl2 N2 -","2","1","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.1232","0.0835","","","0.1915","0.2176","","","","","","1.07","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061071","7.7346","0.0006","14.3407","0.0009","39.815","0.003","90","","90","","90","","4416.3","0.6","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C200 H240 N16 O24 -","8","2","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.0639","0.045","","","0.0915","0.1004","","","","","","0.995","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061072","11.2823","0.0003","7.3708","0.0002","11.7289","0.0003","90","","118.393","0.001","90","","858.04","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H28 Cl N -","- C18 H28 Cl N -","- C36 H56 Cl2 N2 -","2","1","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.028","0.0266","","","0.0705","0.0717","","","","","","1.046","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061073","11.4383","0.0009","10.9604","0.0014","14.2059","0.0013","90","","98.636","0.004","90","","1760.8","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl N -","- C18 H30 Cl N -","- C72 H120 Cl4 N4 -","4","2","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.0891","0.0533","","","0.0962","0.1121","","","","","","0.989","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061074","12.3617","0.0009","12.7385","0.0009","14.0359","0.0012","104.654","0.006","103.976","0.006","109.378","0.005","1884.6","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","Disodium tetrakis-[(N,N'-bis(dimethoxyphosphoryl)hexafluoroglutaramido)]-aqua-Dilanthanum(III) Dihydrate","","- C36 H54 F24 La2 N8 Na2 O35 P8 -","- C36 H48 F24 La2 N8 Na2 O35 P8 -","- C36 H48 F24 La2 N8 Na2 O35 P8 -","1","0.5","","Horniichuk, Oleksandr Ye.; Trush, Victor A.; Kariaka, Nataliia S.; Shishkina, Svitlana V.; Dyakonenko, Viktoriya V.; Severinovskaya, Olga V.; Gawryszewska, Paula; Domasevitch, Kostiantyn V.; Watras, Adam; Amirkhanov, Vladimir M.","Novel quadruple-stranded heterometallic Ln2Na complexes hosting sodium ions inside the cryptand-like cavity","New Journal of Chemistry","2021","45","47","22361","22368","10.1039/D1NJ04353F","","","0.71073","MoKα","","0.0528","0.0405","","","0.0962","0.101","","","","","","1.02","","","","has coordinates,has disorder","271857","2022-01-06","21:46:39",""
"7061075","17.8807","0.0006","17.8807","0.0006","16.2846","0.0006","90","","90","","90","","5206.5","0.3","100","","100","","","","","","","","","8","P 4 21 2","P 4ab 2ab","90","","","","- C44 H68 F24 N9 Na Nd2 O33 P8 -","- C44 H68 F24 N9 Na Nd2 O33 P8 -","- C88 H136 F48 N18 Na2 Nd4 O66 P16 -","2","0.25","","Horniichuk, Oleksandr Ye.; Trush, Victor A.; Kariaka, Nataliia S.; Shishkina, Svitlana V.; Dyakonenko, Viktoriya V.; Severinovskaya, Olga V.; Gawryszewska, Paula; Domasevitch, Kostiantyn V.; Watras, Adam; Amirkhanov, Vladimir M.","Novel quadruple-stranded heterometallic Ln2Na complexes hosting sodium ions inside the cryptand-like cavity","New Journal of Chemistry","2021","45","47","22361","22368","10.1039/D1NJ04353F","","","0.71073","MoKα","","0.0565","0.0496","","","0.1336","0.1405","","","","","","1.078","","","","has coordinates,has disorder","271857","2022-01-06","21:46:39",""
"7061076","12.1643","0.0002","12.6444","0.0002","14.1504","0.0003","105.257","0.002","104.052","0.002","109.38","0.001","1845.88","0.07","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","Disodium tetrakis-[(N,N'-bis(dimethoxyphosphoryl)hexafluoroglutaramido)]- aqua-dineodymium(III) Dihydrate","","- C36 H54 F24 N8 Na2 Nd2 O35 P8 -","- C36 H48 F24 N8 Na2 Nd2 O35 P8 -","- C36 H48 F24 N8 Na2 Nd2 O35 P8 -","1","0.5","","Horniichuk, Oleksandr Ye.; Trush, Victor A.; Kariaka, Nataliia S.; Shishkina, Svitlana V.; Dyakonenko, Viktoriya V.; Severinovskaya, Olga V.; Gawryszewska, Paula; Domasevitch, Kostiantyn V.; Watras, Adam; Amirkhanov, Vladimir M.","Novel quadruple-stranded heterometallic Ln2Na complexes hosting sodium ions inside the cryptand-like cavity","New Journal of Chemistry","2021","45","47","22361","22368","10.1039/D1NJ04353F","","","1.54186","CuKα","","0.0538","0.0508","","","0.1459","0.1491","","","","","","1.062","","","","has coordinates,has disorder","271857","2022-01-06","21:46:39",""
"7061077","18.3724","0.0007","13.2094","0.0005","8.0305","0.0003","90","","97.937","0.004","90","","1930.24","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 N3 O -","- C27 H16 N3 O -","- C108 H64 N12 O4 -","4","1","","Bartos, Paulina; Hande, Aniket A.; Pietrzak, Anna; Chrostowska, Anna; Kaszyński, Piotr","Substituent effects on the electronic structure of the flat Blatter radical: correlation analysis of experimental and computational data","New Journal of Chemistry","2021","45","48","22876","22887","10.1039/D1NJ05137G","","","1.54184","CuKα","","0.0973","0.0655","","","0.1685","0.1923","","","","","","1.235","","","","has coordinates","271862","2022-01-06","21:47:33",""
"7061078","21.5515","0.0006","5.0208","0.0001","18.0754","0.0005","90","","113.476","0.003","90","","1793.97","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N3 O -","- C25 H16 N3 O -","- C100 H64 N12 O4 -","4","1","","Bartos, Paulina; Hande, Aniket A.; Pietrzak, Anna; Chrostowska, Anna; Kaszyński, Piotr","Substituent effects on the electronic structure of the flat Blatter radical: correlation analysis of experimental and computational data","New Journal of Chemistry","2021","45","48","22876","22887","10.1039/D1NJ05137G","","","1.54184","CuKα","","0.0724","0.0637","","","0.1753","0.1824","","","","","","1.06","","","","has coordinates,has disorder","271862","2022-01-06","21:47:34",""
"7061079","28.8753","0.0002","13.0456","0.0001","8.0244","0.0001","90","","90","","90","","3022.76","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H11 I N3 O -","- C19 H11 I N3 O -","- C152 H88 I8 N24 O8 -","8","1","","Bartos, Paulina; Hande, Aniket A.; Pietrzak, Anna; Chrostowska, Anna; Kaszyński, Piotr","Substituent effects on the electronic structure of the flat Blatter radical: correlation analysis of experimental and computational data","New Journal of Chemistry","2021","45","48","22876","22887","10.1039/D1NJ05137G","","","1.54184","CuKα","","0.0252","0.0234","","","0.0632","0.0642","","","","","","1.097","","","","has coordinates","271862","2022-01-06","21:47:34",""
"7061085","48.835","0.01","6.941","0.0014","15.982","0.003","90","","96.68","0.03","90","","5380.5","1.9","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 F6 N3 O4 -","- C30 H21 F6 N3 O4 -","- C240 H168 F48 N24 O32 -","8","1","","Gayathri, Parthasarathy; Nag, Probal; Anand, Neethu; Vennapusa, Sivaranjana Reddy; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Molecular conformational twist-controlled wide fluorescence tuning and white light emission in a single fluorophore via halochromism","New Journal of Chemistry","2021","45","47","22450","22460","10.1039/D1NJ04911A","","","0.63","synchrotron","","0.0809","0.0529","","","0.141","0.1525","","","","","","0.991","","","","has coordinates","271856","2022-01-06","21:46:29",""
"7061086","7.115","0.0014","10.484","0.002","10.9","0.002","63.89","0.03","72.81","0.03","77.2","0.03","693.5","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H12 Cl F2 N O Pt S -","- C13 H12 Cl F2 N O Pt S -","- C26 H24 Cl2 F4 N2 O2 Pt2 S2 -","2","1","","Shahsavari, Hamid R.; Paziresh, Sareh","The impact of cyclometalated and phosphine ligands on the luminescence properties of cycloplatinated(ii) complexes: photophysical and theoretical investigations","New Journal of Chemistry","2021","45","48","22732","22740","10.1039/D1NJ04242D","","","0.71073","MoKα","","0.0934","0.0814","","","0.175","0.1789","","","","","","0.943","","","","has coordinates","271865","2022-01-06","21:47:55",""
"7061087","9.7226","0.0019","11.775","0.002","11.78","0.002","77","0.03","88.08","0.03","68.76","0.03","1223.1","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H21 Cl F2 N P Pt -","- C29 H21 Cl F2 N P Pt -","- C58 H42 Cl2 F4 N2 P2 Pt2 -","2","1","","Shahsavari, Hamid R.; Paziresh, Sareh","The impact of cyclometalated and phosphine ligands on the luminescence properties of cycloplatinated(ii) complexes: photophysical and theoretical investigations","New Journal of Chemistry","2021","45","48","22732","22740","10.1039/D1NJ04242D","","","0.71073","MoKα","","0.074","0.0557","","","0.1339","0.1382","","","","","","0.934","","","","has coordinates","271865","2022-01-06","21:47:56",""