# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-29T14:08:46+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'New Journal of Chemistry') AND volume = 37 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
"7052970","4.8685","0.0003","17.2207","0.0012","17.2062","0.0015","90","","91.668","0.007","90","","1441.94","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N2 O12 -","- C8 H16 N2 O12 -","- C32 H64 N8 O48 -","4","1","","Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia","From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid","New Journal of Chemistry","2013","37","1","97","","10.1039/c2nj40379j","","","0.71073","MoKα","","0.1464","0.1065","","","0.2271","0.2465","","","","","","1.255","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052971","14.3723","0.0008","6.2614","0.0004","9.1815","0.0005","90","","92.112","0.004","90","","825.69","0.08","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","from C:/Iacopo_serina_ox/lserox_best1.cif","","","- C5 N O7 -","- C5 H7.5 N O7 -","- C20 H30 N4 O28 -","4","2","","Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia","From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid","New Journal of Chemistry","2013","37","1","97","","10.1039/c2nj40379j","powder diffraction","","1.5406","CuKα","","","","","","","","","","2.85","","","","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052972","4.8832","0.0006","11.9276","0.0014","12.4798","0.0015","90","","92.018","0.01","90","","726.43","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H20 N2 O12 -","- C8 H16 N2 O12 -","- C16 H32 N4 O24 -","2","1","","Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia","From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid","New Journal of Chemistry","2013","37","1","97","","10.1039/c2nj40379j","","","0.71073","MoKα","","0.1904","0.0963","","","0.136","0.1693","","","","","","1.149","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052973","12.5711","0.0006","11.2144","0.0005","5.2079","0.0002","90","","100.529","0.003","90","","721.83","0.06","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","from C:/2_1mono/sol2acqua_best8.cif","","","- C8 N2 O12 -","- C8 H16 N2 O12 -","- C16 H32 N4 O24 -","2","1","","Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia","From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid","New Journal of Chemistry","2013","37","1","97","","10.1039/c2nj40379j","powder diffraction","","1.5406","CuKα","","","","","","","","","","1.78","","","","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052974","11.7238","0.0011","11.7563","0.0011","13.1508","0.0012","109.956","0.001","94.499","0.002","110.922","0.002","1549.4","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H30 F12 N6 P2 Ru S3 -","- C21 H30 F12 N6 P2 Ru S3 -","- C42 H60 F24 N12 P4 Ru2 S6 -","2","1","","Todd, Adam M.; Swinburne, Adam N.; Goeta, Andrés E.; Steed, Jonathan W.","Anion receptor coordination tripods capped by [9]ane-S3","New Journal of Chemistry","2013","37","1","89","","10.1039/c2nj40401j","","","0.71073","MoKα","","0.0348","0.0296","","","0.0703","0.073","","","","","","1.028","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052975","7.7341","0.0006","8.1924","0.0004","20.4587","0.0014","90","","98.448","0.006","90","","1282.22","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-bis(3-(trimethoxysilyl)propyl)pyrrolo(3,4-f)isoindole - 1,3,5,7(2H,6H)- tetraone","2,6-bis(3-(trimethoxysilyl)propyl)pyrrolo[3,4-f]isoindole -1,3,5,7(2H,6H)-tetraone","","- C22 H32 N2 O10 Si2 -","- C22 H32 N2 O10 Si2 -","- C44 H64 N4 O20 Si4 -","2","0.5","","Pfeifer, Stefan; Schwarzer, Anke; Schmidt, Dana; Brendler, Erica; Veith, Michael; Kroke, Edwin","Precursors for pyromellit-bridged silica sol–gel hybrid materials","New Journal of Chemistry","2013","37","1","169","","10.1039/c2nj40538e","","","0.71073","MoKα","","0.0468","0.0403","","","0.1053","0.109","","","","","","1.085","","","","has coordinates,has disorder","301851","2025-08-21","20:32:42",""
"7052976","14.2971","0.0004","7.7793","0.0003","25.6231","0.0007","90","","99.546","0.002","90","","2810.38","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-bis((triethoxysilyl)methyl)pyrrolo(3,4-f) isoindole-1,3,5,7(2H,6H)-tetraone","2,6-bis((triethoxysilyl)methyl)pyrrolo[3,4-f] isoindole-1,3,5,7(2H,6H)-tetraone","","- C24 H36 N2 O10 Si2 -","- C24 H36 N2 O10 Si2 -","- C96 H144 N8 O40 Si8 -","4","1","","Pfeifer, Stefan; Schwarzer, Anke; Schmidt, Dana; Brendler, Erica; Veith, Michael; Kroke, Edwin","Precursors for pyromellit-bridged silica sol‒gel hybrid materials","New Journal of Chemistry","2013","37","1","169","","10.1039/c2nj40538e","","","0.71073","MoKα","","0.0634","0.0577","","","0.1557","0.1604","","","","","","1.092","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052977","7.8416","0.0018","10.779","0.002","13.485","0.003","95.885","0.004","98.485","0.005","103.936","0.004","1082.8","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H26 O -","- C31 H26 O -","- C62 H52 O2 -","2","1","","Moorthy, Jarugu Narasimha; Mandal, Susovan; Kumar, Amrit","Photochromism of novel chromenes constrained to be part of [2.2]paracyclophane: remarkable ‘phane’ effects on the colored o-quinonoid intermediates","New Journal of Chemistry","2013","37","1","82","","10.1039/c2nj40575j","","","0.71073","MoKα","","0.0924","0.0764","","","0.2242","0.2441","","","","","","1.099","","","","has coordinates","301851","2025-08-21","20:32:42",""
"7052978","18.2537","0.001","18.39","0.001","20.7899","0.0012","74.209","0.001","89.492","0.001","87.577","0.001","6709.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H151 La2 N21 O33 -","- C103 H97 La2 N21 O24 -","- C206 H194 La4 N42 O48 -","2","1","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0441","0.0395","","","0.1082","0.1116","","","","","","1.101","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052979","21.31","0.002","21.575","0.002","25.924","0.002","82.036","0.002","86.57","0.001","84.975","0.001","11744.8","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H159 Er N18 O23 -","- C103 H97 Er N18 O15 -","- C412 H388 Er4 N72 O60 -","4","2","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0739","0.0567","","","0.1521","0.1607","","","","","","1.093","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052980","17.6026","0.0014","17.8227","0.0015","20.5821","0.0017","81.527","0.001","81.654","0.001","88.492","0.001","6318.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H145 N21 O32 Yb2 -","- C105 H103 N21 O26 Yb2 -","- C210 H206 N42 O52 Yb4 -","2","1","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0541","0.047","","","0.1348","0.1408","","","","","","1.092","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052981","23.7722","0.0009","23.7722","0.0009","23.7722","0.0009","90","","90","","90","","13434.1","0.9","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C133 H169 N18 O22.5 Yb -","- C112 H112 N18 O15 Yb -","- C448 H448 N72 O60 Yb4 -","4","0.333333","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0734","0.058","","","0.1645","0.1801","","","","","","1.09","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052982","14.8807","0.0003","20.2373","0.0004","24.8721","0.0006","95.009","0.002","101.027","0.002","107.138","0.001","6942.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C139 H175 F9 N15 O18 S3 Yb -","- C121 H127 F9 N15 O15 S3 Yb -","- C242 H254 F18 N30 O30 S6 Yb2 -","2","1","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0662","0.0469","","","0.1025","0.1078","","","","","","0.914","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052983","24.8539","0.0006","13.987","0.0003","28.8206","0.0006","90","","104.791","0.001","90","","9687","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C95 H105 F9 N15 O13 S3 Yb -","- C90 H93 F9 N15 O12 S3 Yb -","- C360 H372 F36 N60 O48 S12 Yb4 -","4","1","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","1.54178","CuKα","","0.0296","0.0284","","","0.0679","0.0685","","","","","","1.055","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052984","13.6476","0.0009","16.3938","0.001","23.0054","0.0014","88.036","0.001","89.204","0.001","82.558","0.001","5100.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C111 H83 F9 N21 O13 S3 Yb -","- C111 H81 F9 N21 O12.5 S3 Yb -","- C222 H162 F18 N42 O25 S6 Yb2 -","2","1","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0407","0.0324","","","0.0833","0.0863","","","","","","1.044","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052985","17.232","0.002","15.471","0.002","9.473","0.0011","90","","114.15","0.002","90","","2304.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H52 Cl4 Co2 N8 O2 -","- C46 H52 Cl4 Co2 N8 O2 -","- C92 H104 Cl8 Co4 N16 O4 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion","New Journal of Chemistry","2013","37","1","71","","10.1039/c2nj40612h","","","0.71073","MoKα","","0.1168","0.0826","","","0.166","0.1811","","","","","","1.161","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052986","20.02","0.004","14.595","0.003","17.102","0.003","90","","118.62","0.03","90","","4386.5","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Cl4 Co2 N8 -","- C44 H44 Cl4 Co2 N8 -","- C176 H176 Cl16 Co8 N32 -","4","0.5","","Jacobs, Tia; Barbour, Leonard J.","Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion","New Journal of Chemistry","2013","37","1","71","","10.1039/c2nj40612h","","","0.71073","MoKα","","0.1992","0.1308","","","0.232","0.2617","","","","","","1.156","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052987","17.36","0.02","15.483","0.02","9.44","0.012","90","","113.97","0.02","90","","2319","5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H52 Cl4 N8 O2 Zn2 -","- C46 H52 Cl4 N8 O2 Zn2 -","- C92 H104 Cl8 N16 O4 Zn4 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion","New Journal of Chemistry","2013","37","1","71","","10.1039/c2nj40612h","","","0.71073","MoKα","","0.1368","0.0859","","","0.1777","0.1991","","","","","","1.04","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052988","20.01","0.005","14.658","0.003","17.146","0.004","90","","118.325","0.003","90","","4426.9","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Cl4 N8 Zn2 -","- C44 H44 Cl4 N8 Zn2 -","- C176 H176 Cl16 N32 Zn8 -","4","0.5","","Jacobs, Tia; Barbour, Leonard J.","Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion","New Journal of Chemistry","2013","37","1","71","","10.1039/c2nj40612h","","","0.71073","MoKα","","0.1793","0.0804","","","0.165","0.2088","","","","","","1.019","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052989","20.6275","0.0008","10.5366","0.0004","30.6641","0.0012","90","","99.59","0.001","90","","6571.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ceotfb","","","- C68 H116 Ce2 O3 S -","- C68 H116 Ce2 O3 S -","- C272 H464 Ce8 O12 S4 -","4","1","","Werkema, Evan L.; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A.","Cleaving bonds in CH3OSO2CF3 with [1,2,4-(Me3C)3C5H2]2CeH; an experimental and computational study","New Journal of Chemistry","2013","37","1","132","","10.1039/c2nj40624a","","","0.71073","MoKα","","0.0558","0.0379","","","0.0792","0.088","","","","","","1.053","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052990","10.5673","0.0012","21.532","0.002","16.3041","0.0018","90","","98.267","0.002","90","","3671.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ceotf","","","- C35 H58 Ce F3 O3 S -","- C35 H58 Ce F3 O3 S -","- C140 H232 Ce4 F12 O12 S4 -","4","1","","Werkema, Evan L.; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A.","Cleaving bonds in CH3OSO2CF3 with [1,2,4-(Me3C)3C5H2]2CeH; an experimental and computational study","New Journal of Chemistry","2013","37","1","132","","10.1039/c2nj40624a","","","0.71073","MoKα","","0.0258","0.0224","","","0.0499","0.0522","","","","","","1.067","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052991","17.083","0.002","11.2862","0.0009","11.2092","0.0015","90","","106.755","0.007","90","","2069.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N8 O7 Zn2 -","- C16 H18 N8 O7 Zn2 -","- C64 H72 N32 O28 Zn8 -","4","0.5","","Lou, Benyong; He, Fengdan","Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids","New Journal of Chemistry","2013","37","2","309","","10.1039/c2nj40625j","","","0.71073","MoKα","","0.052","0.0316","","","0.0763","0.118","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052992","16.023","0.002","13.4229","0.0016","11.4932","0.0019","90","","103.331","0.009","90","","2405.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N8 O7 Zn2 -","- C21 H20 N8 O7 Zn2 -","- C84 H80 N32 O28 Zn8 -","4","0.5","","Lou, Benyong; He, Fengdan","Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids","New Journal of Chemistry","2013","37","2","309","","10.1039/c2nj40625j","","","0.71073","MoKα","","0.0481","0.0386","","","0.0754","0.0805","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052993","11.8565","0.0011","11.048","0.0008","20.2252","0.0016","90","","90","","90","","2649.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N5 O4 Zn -","- C13 H11 N5 O4 Zn -","- C104 H88 N40 O32 Zn8 -","8","1","","Lou, Benyong; He, Fengdan","Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids","New Journal of Chemistry","2013","37","2","309","","10.1039/c2nj40625j","","","0.71073","MoKα","","0.0319","0.0283","","","0.0646","0.0666","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052994","13.5277","0.0004","15.3111","0.0007","17.7296","0.0005","86.083","0.003","67.796","0.002","77.863","0.003","3323.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C138.5 H131 Cl N14 O23 Zn2 -","- C138.5 H127 Cl N14 O23 Zn2 -","- C138.5 H127 Cl N14 O23 Zn2 -","1","0.5","","Lang, Thomas; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais","Zinc‒ and palladium‒porphyrin based turnstiles","New Journal of Chemistry","2013","37","1","112","","10.1039/c2nj40657h","","","0.71073","MoKα","","0.0969","0.0782","","","0.2357","0.2528","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052995","14.8196","0.0012","17.1292","0.0015","17.1532","0.0017","63.953","0.003","84.648","0.003","64.883","0.003","3518.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C148 H156 N14 O23 Pd2 -","- C148 H146 N14 O23 Pd2 -","- C148 H146 N14 O23 Pd2 -","1","0.5","","Lang, Thomas; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais","Zinc‒ and palladium‒porphyrin based turnstiles","New Journal of Chemistry","2013","37","1","112","","10.1039/c2nj40657h","","","0.71073","MoKα","","0.151","0.1132","","","0.2997","0.3255","","","","","","1.416","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052996","13.1083","0.0003","9.45522","0.00019","15.1358","0.0004","90","","99.016","0.002","90","","1852.78","0.08","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Benzene-1,2-diolato)(methanolato)(2-(morpholinomethyl)phenyl)boron methanol solvate","","- C19 H26 B N O5 -","- C19 H26 B N O5 -","- C76 H104 B4 N4 O20 -","4","1","","Adamczyk-Woźniak, Agnieszka; Borys, Krzysztof M.; Madura, Izabela D.; Pawełko, Alicja; Tomecka, Ewelina; Żukowski, Kamil","Lewis acidity and sugar receptor activity of 3-amino-substituted benzoxaboroles and their ortho-aminomethylphenylboronic acid analogues","New Journal of Chemistry","2013","37","1","188","","10.1039/c2nj40687j","","","1.5418","CuKα","","0.0388","0.0335","","","0.0862","0.0894","","","","","","1.049","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7052997","35.577","0.005","6.4458","0.0009","12.9791","0.0007","90","","109.18","0.01","90","","2811.2","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H8 Cl2 F10 N4 S -","- C24 H6 F10 N4 S -","- C96 H24 F40 N16 S4 -","4","0.5","","Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre","Synthesis, electronic properties and packing modes of conjugated systems based on 2,5-di(cyanovinyl)furan or thiophene and imino-perfluorophenyl moieties","New Journal of Chemistry","2013","37","2","409","","10.1039/c2nj40745k","","x-ray","0.71073","MoKα","","0.0802","0.0531","","","0.1116","0.1218","","","","","","1.061","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052998","36.916","0.009","6.298","0.0007","9.662","0.002","90","","101.03","0.02","90","","2204.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 F10 N4 O -","- C24 H6 F10 N4 O -","- C96 H24 F40 N16 O4 -","4","0.5","","Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre","Synthesis, electronic properties and packing modes of conjugated systems based on 2,5-di(cyanovinyl)furan or thiophene and imino-perfluorophenyl moieties","New Journal of Chemistry","2013","37","2","409","","10.1039/c2nj40745k","","x-ray","0.71073","MoKα","","","0.0581","","","","0.1339","","","","","","1.122","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7052999","22.017","0.0017","16.2879","0.0016","13.7909","0.0011","90","","90","","90","","4945.6","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H22 Mg O13 Zn -","- C18 H16 Mg O10 Zn -","- C144 H128 Mg8 O80 Zn8 -","8","1","","Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi","Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands","New Journal of Chemistry","2013","37","2","380","","10.1039/c2nj40752c","","","0.71073","MoKα","","0.106","0.0668","","","0.1529","0.1735","","","","","","1.043","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7053000","12.0711","0.0004","12.2504","0.0004","13.3746","0.0005","90","","101.194","0.003","90","","1940.15","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O9 Zn2 -","- C18 H14 O9 Zn2 -","- C72 H56 O36 Zn8 -","4","1","","Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi","Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands","New Journal of Chemistry","2013","37","2","380","","10.1039/c2nj40752c","","","0.71073","MoKα","","0.0396","0.0301","","","0.071","0.0766","","","","","","1.034","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053001","8.0667","0.0003","12.2547","0.0008","12.591","0.0006","95.846","0.005","93.184","0.004","95.283","0.004","1230.3","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O10 Zn3 -","- C24 H26 O10 Zn3 -","- C48 H52 O20 Zn6 -","2","1","","Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi","Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands","New Journal of Chemistry","2013","37","2","380","","10.1039/c2nj40752c","","","0.71073","MoKα","","0.0492","0.0433","","","0.111","0.1151","","","","","","1.097","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053002","18.14","0.001","31.2496","0.0019","6.8627","0.0004","90","","106.35","0.006","90","","3732.9","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C30 H36 Ba O14 Zn2 -","- C30 H34 Ba O13 Zn2 -","- C120 H136 Ba4 O52 Zn8 -","4","1","","Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi","Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands","New Journal of Chemistry","2013","37","2","380","","10.1039/c2nj40752c","","","0.71073","MoKα","","0.0377","0.0342","","","0.076","0.0787","","","","","","1.043","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053003","34.465","0.013","34.465","0.013","7.825","0.003","90","","90","","120","","8050","5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C378 H306 N54 O54 -","18","1","","Xu, Huajie; Liu, Zhaodi; Sheng, Liangquan; Chen, Mingming; Huang, Deqian; Zhang, Hong; Song, Chongfu; Chen, Shuisheng","A novel “turn-on” fluorescent probe for Fe3+ in aqueous media based on CN isomerization","New Journal of Chemistry","2013","37","2","274","","10.1039/c2nj40767a","","","0.71073","MoKα","","0.0571","0.0415","","","0.1007","0.11","","","","","","1.029","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053004","9.1543","0.0003","9.4031","0.0003","20.9383","0.0007","77.882","0.002","79.291","0.002","83.454","0.002","1726.21","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[(2,2'bipyridine)di(flumequinato-κ^2^O,O)zinc(II)] dihydrate","[(2,2'bipyridine)di(9-fluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylato-κ^2^O,O)zinc(II)] dihydrate","","- C38 H34 F2 N4 O8 Zn -","- C38 H34 F2 N4 O8 Zn -","- C76 H68 F4 N8 O16 Zn2 -","2","1","","Tarushi, Alketa; Kljun, Jakob; Turel, Iztok; Pantazaki, Anastasia A.; Psomas, George; Kessissoglou, Dimitris P.","Zinc(II) complexes with the quinolone antibacterial drug flumequine: structure, DNA- and albumin-binding","New Journal of Chemistry","2013","37","2","342","","10.1039/c2nj40798a","","","0.71073","MoKα","","0.1","0.0526","","","0.091","0.1063","","","","","","1.028","","","","has coordinates,has disorder","301851","2025-08-21","20:32:43",""
"7053005","7.8443","0.0001","9.2261","0.0001","15.1286","0.0002","100.316","0.0008","100.686","0.0008","96.171","0.0008","1047.24","0.02","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[(2,2'-bipyridine)chlorido(flumequinato-κ^2^O,O)zinc(II)]","[(2,2'-bipyridine)chlorido(9-fluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyr ido[3,2,1-ij]quinoline-2-carboxylato-κ^2^O,O)zinc(II)]","","- C24 H19 Cl F N3 O3 Zn -","- C24 H19 Cl F N3 O3 Zn -","- C48 H38 Cl2 F2 N6 O6 Zn2 -","2","1","","Tarushi, Alketa; Kljun, Jakob; Turel, Iztok; Pantazaki, Anastasia A.; Psomas, George; Kessissoglou, Dimitris P.","Zinc(ii) complexes with the quinolone antibacterial drug flumequine: structure, DNA- and albumin-binding","New Journal of Chemistry","2013","37","2","342","","10.1039/c2nj40798a","","","0.71073","MoKα","","0.0255","0.0244","","","0.0615","0.0621","","","","","","1.068","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053006","12.448","0.001","13.931","0.001","22.376","0.002","86.52","0.01","80.65","0.01","69.71","0.01","3591.1","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C93.64 H13.16 F54 -","- C93.64 H7 F54 -","- C187.28 H14 F108 -","2","1","","Ignat'eva, D. V.; Goryunkov, A. A.; Tamm, N. B.; Ioffe, I. N.; Sidorov, L. N.; Troyanov, S. I.","Isolation and structural characterization of the most highly trifluoromethylated C70 fullerenes: C70(CF3)18 and C70(CF3)20","New Journal of Chemistry","2013","37","2","299","","10.1039/c2nj40959c","","","0.905","","","0.1027","0.0882","","","0.2186","0.225","","","","","","1.059","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053007","14.524","0.001","21.689","0.001","23.545","0.002","90","","99.168","0.003","90","","7322.2","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C93 H7 F60 -","- C93 H7 F60 -","- C372 H28 F240 -","4","1","","Ignat'eva, D. V.; Goryunkov, A. A.; Tamm, N. B.; Ioffe, I. N.; Sidorov, L. N.; Troyanov, S. I.","Isolation and structural characterization of the most highly trifluoromethylated C70 fullerenes: C70(CF3)18 and C70(CF3)20","New Journal of Chemistry","2013","37","2","299","","10.1039/c2nj40959c","","","0.905","synchrotron","","0.132","0.0863","","","0.1956","0.213","","","","","","1.16","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053008","14.7468","0.0005","15.55","0.0005","18.135","0.0005","78.495","0.002","82.54","0.002","71.023","0.002","3844.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C100.5 H12 F60 -","- C100.5 H8 F60 -","- C201 H16 F120 -","2","1","","Ignat'eva, D. V.; Goryunkov, A. A.; Tamm, N. B.; Ioffe, I. N.; Sidorov, L. N.; Troyanov, S. I.","Isolation and structural characterization of the most highly trifluoromethylated C70 fullerenes: C70(CF3)18 and C70(CF3)20","New Journal of Chemistry","2013","37","2","299","","10.1039/c2nj40959c","","","0.905","synchrotron","","0.0978","0.0869","","","0.2031","0.2132","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053009","11.7261","0.0007","6.3804","0.0004","19.3742","0.0012","90","","90.906","0.002","90","","1449.34","0.15","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 O2 S -","- C20 H10 O2 S -","- C80 H40 O8 S4 -","4","1","","Seidel, Nadine; Hahn, Torsten; Liebing, Simon; Seichter, Wilhelm; Kortus, Jens; Weber, Edwin","Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics","New Journal of Chemistry","2013","37","3","601","","10.1039/c2nj40772h","","","0.71073","MoKα","","0.0621","0.0433","","","0.1171","0.1398","","","","","","1.064","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053010","18.3586","0.0005","8.6988","0.0002","8.3214","0.0002","90","","98.203","0.002","90","","1315.31","0.06","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Seidel, Nadine; Hahn, Torsten; Liebing, Simon; Seichter, Wilhelm; Kortus, Jens; Weber, Edwin","Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics","New Journal of Chemistry","2013","37","3","601","","10.1039/c2nj40772h","","","0.71073","MoKα","","0.0459","0.0324","","","0.0815","0.0902","","","","","","1.026","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053011","10.8327","0.0011","20.919","0.003","13.3107","0.0014","90","","104.117","0.009","90","","2925.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","bis(1,3-diphenylpropane-1,3-dionato)(3- methylpyridine)oxovanadium(IV)","bis(1,3-diphenylpropane-1,3-dionato)(3-methylpyridine)oxovanadium(IV)","","- C36 H29 N O5 V -","- C36 H29 N O5 V -","- C144 H116 N4 O20 V4 -","4","1","","Stilinović, Vladimir; Bučar, Dejan-Krešimir; Halasz, Ivan; Meštrović, Ernest","VO⋯C interactions in crystal structures of oxovanadium-coordination compounds","New Journal of Chemistry","2013","37","3","619","","10.1039/c2nj40780a","","","0.71073","MoKα","","0.0743","0.0567","","","0.0942","0.1013","","","","","","1.12","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053012","10.333","0.002","14.007","0.002","14.251","0.003","77.356","0.015","70.407","0.018","77.535","0.016","1873.2","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","bis(1,3-diphenylpropane-1,3-dionato)(4,4'- bipyridine)oxovanadium(IV) dimethylsulphoxyde solvate","bis(1,3-diphenylpropane-1,3-dionato)(4,4'-bipyridine)oxovanadium(IV) dimethylsulphoxyde solvate","","- C42 H36 N2 O6 S V -","- C42 H36 N2 O6 S V -","- C84 H72 N4 O12 S2 V2 -","2","1","","Stilinović, Vladimir; Bučar, Dejan-Krešimir; Halasz, Ivan; Meštrović, Ernest","VO⋯C interactions in crystal structures of oxovanadium-coordination compounds","New Journal of Chemistry","2013","37","3","619","","10.1039/c2nj40780a","","","0.71073","MoKα","","0.1268","0.0973","","","0.2747","0.3113","","","","","","1.122","","","","has coordinates,has disorder","301851","2025-08-21","20:32:43",""
"7053013","11.7951","0.0006","9.4577","0.0005","12.8525","0.0007","90","","91.093","0.005","90","","1433.49","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-(Diethylamino)phenyl)(pyridine-2-yl)methanol","(4-(Diethylamino)phenyl)(pyridine-2-yl)methanol","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj","Friedel–Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols","New Journal of Chemistry","2013","37","3","563","","10.1039/c2nj40871f","","","0.7107","MoKα","","0.0774","0.0584","","","0.1545","0.1701","","","","","","1.044","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053014","8.489","0.0003","17.2434","0.0006","8.1339","0.0003","90","","110.61","0.004","90","","1114.43","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-Methoxyphenyl)(pyridine-2-yl)methanol","(4-Methoxyphenyl)(pyridine-2-yl)methanol","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj","Friedel–Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols","New Journal of Chemistry","2013","37","3","563","","10.1039/c2nj40871f","","","0.7107","MoKα","","0.043","0.0353","","","0.0793","0.0838","","","","","","1.042","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053015","10.6147","0.0005","11.5927","0.0005","9.2553","0.0004","90","","90","","90","","1138.89","0.09","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(1H-indol-3-yl)(pyridin-2-yl)methanol","(1H-indol-3-yl)(pyridin-2-yl)methanol","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj","Friedel–Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols","New Journal of Chemistry","2013","37","3","563","","10.1039/c2nj40871f","","","0.7107","MoKα","","0.0455","0.0388","","","0.0944","0.1022","","","","","","1.06","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053016","5.9087","0.0002","12.77","0.0005","21.8373","0.0007","90","","90","","90","","1647.71","0.1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4,4'-(phenylmethylene)bis(methoxybenzene)","4,4'-(phenylmethylene)bis(methoxybenzene)","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","1","","Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj","Friedel–Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols","New Journal of Chemistry","2013","37","3","563","","10.1039/c2nj40871f","","","0.7107","MoKα","","0.0407","0.0341","","","0.0757","0.0807","","","","","","1.066","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053017","32.989","0.007","32.989","0.007","7.098","0.002","90","","90","","120","","6690","3","100","2","100","2","","","","","","","Claudia Caltagirone","4","R -3 :H","-R 3","148","","","","- C21 H26 N4 O4 -","- C18 H14 N4 O -","- C324 H252 N72 O18 -","18","1","","Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea","Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly","New Journal of Chemistry","2013","37","3","663","","10.1039/c2nj40877e","","","0.71075","MoKα","","0.099","0.0712","","","0.1314","0.1421","","","","","","1.164","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053018","22.003","0.004","7.1308","0.0014","18.677","0.004","90","","90","","90","","2930.4","1","100","2","100","2","","","","","","","Claudia Caltagirone","4","P n a 21","P 2c -2n","33","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C144 H112 N32 O8 -","8","2","","Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea","Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly","New Journal of Chemistry","2013","37","3","663","","10.1039/c2nj40877e","","","0.71075","MoKα","","0.0859","0.0624","","","0.1016","0.1085","","","","","","1.044","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053019","8.041","0.0017","19.459","0.004","18.998","0.004","90","","94.696","0.003","90","","2962.6","1.1","100","2","100","2","","","","","","","Claudia Caltagirone","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C152 H112 N32 O8 -","8","2","","Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea","Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly","New Journal of Chemistry","2013","37","3","663","","10.1039/c2nj40877e","","","0.71075","MoKα","","0.1121","0.0793","","","0.1604","0.1788","","","","","","1.119","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053020","17.665","0.004","6.3279","0.0014","26.063","0.006","90","","100.725","0.003","90","","2862.5","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Cu N8 -","- C2 H8 Cu N8 -","- C32 H128 Cu16 N128 -","16","2","","Wu, Bi-Dong; Zhou, Zun-Ning; Li, Fu-Gang; Yang, Li; Zhang, Tong-Lai; Zhang, Jian-Guo","Preparation, crystal structures, thermal decompositions and explosive properties of two new high-nitrogen azide ethylenediamine energetic compounds","New Journal of Chemistry","2013","37","3","646","","10.1039/c2nj40887b","","","0.71073","MoKα","","0.0448","0.0326","","","0.08","0.0872","","","","","","0.998","","","","has coordinates,has disorder","301851","2025-08-21","20:32:43",""
"7053021","13.671","0.004","9.447","0.002","9.343","0.003","90","","100.349","0.003","90","","1187","0.6","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Co N11 O3 -","- C4 H16 Co N11 O3 -","- C16 H64 Co4 N44 O12 -","4","0.5","","Wu, Bi-Dong; Zhou, Zun-Ning; Li, Fu-Gang; Yang, Li; Zhang, Tong-Lai; Zhang, Jian-Guo","Preparation, crystal structures, thermal decompositions and explosive properties of two new high-nitrogen azide ethylenediamine energetic compounds","New Journal of Chemistry","2013","37","3","646","","10.1039/c2nj40887b","","","0.71073","MoKα","","0.0325","0.0281","","","0.0748","0.0778","","","","","","1.001","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053022","15.9841","0.0003","20.584","0.0005","24.9501","0.0005","111.656","0.002","106.005","0.0016","94.5871","0.0016","7180.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H104 N4 O8 Zn -","- C82 H104 N4 O8 Zn -","- C328 H416 N16 O32 Zn4 -","4","2","","Raymont, Victoria; Wilson, Hannah; Pfrunder, Michael; McMurtrie, John C.; Mullen, Kathleen M.","New approaches to the synthesis of strapped porphyrin containing bipyridinium [2]rotaxanes","New Journal of Chemistry","2013","37","4","893","","10.1039/c2nj40762k","","","0.71073","MoKα","","0.1189","0.0657","","","0.1715","0.1917","","","","","","1.002","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053023","16.039","0.005","20.336","0.006","16.729","0.005","90","","91.988","0.005","90","","5453","3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H92 Cr3 Mn3 N18 O16 -","- C102 H92 Cr3 Mn3 N18 O16 -","- C204 H184 Cr6 Mn6 N36 O32 -","2","0.5","","Zhang, Qian; Zhou, Hongbo; Shen, Xiaoping; Zhou, Hu; Yang, Yuqi","Syntheses, crystal structures and magnetic properties of four cyano-bridged bimetallic alternating chain complexes based on [CrIII(salen)(CN)2]− and [CrIII(bipy)(CN)4]− building blocks","New Journal of Chemistry","2013","37","4","941","","10.1039/c2nj41059a","","","0.71073","MoKα","","0.0827","0.0542","","","0.0995","0.1046","","","","","","1.092","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053024","15.946","0.003","20.452","0.002","16.9","0.003","90","","92.377","0.003","90","","5506.8","1.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C105 H98 Cr3 Mn3 N18 O16 -","- C105 H98 Cr3 Mn3 N18 O16 -","- C210 H196 Cr6 Mn6 N36 O32 -","2","0.5","","Zhang, Qian; Zhou, Hongbo; Shen, Xiaoping; Zhou, Hu; Yang, Yuqi","Syntheses, crystal structures and magnetic properties of four cyano-bridged bimetallic alternating chain complexes based on [CrIII(salen)(CN)2]− and [CrIII(bipy)(CN)4]− building blocks","New Journal of Chemistry","2013","37","4","941","","10.1039/c2nj41059a","","","0.71073","MoKα","","0.0813","0.0604","","","0.1331","0.1399","","","","","","1.055","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053025","9.5129","0.0019","21.587","0.004","13.479","0.003","90","","91.71","0.03","90","","2766.7","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cr Mn N8 O2 -","- C30 H22 Cr Mn N8 O2 -","- C120 H88 Cr4 Mn4 N32 O8 -","4","1","","Zhang, Qian; Zhou, Hongbo; Shen, Xiaoping; Zhou, Hu; Yang, Yuqi","Syntheses, crystal structures and magnetic properties of four cyano-bridged bimetallic alternating chain complexes based on [CrIII(salen)(CN)2]− and [CrIII(bipy)(CN)4]− building blocks","New Journal of Chemistry","2013","37","4","941","","10.1039/c2nj41059a","","","0.71073","MoKα","","0.0294","0.0267","","","0.0823","0.0839","","","","","","1.092","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053026","9.2635","0.0019","21.4","0.004","14.823","0.003","90","","97.68","0.03","90","","2912.1","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Cr Mn N8 O2 -","- C31 H24 Cr Mn N8 O2 -","- C124 H96 Cr4 Mn4 N32 O8 -","4","1","","Zhang, Qian; Zhou, Hongbo; Shen, Xiaoping; Zhou, Hu; Yang, Yuqi","Syntheses, crystal structures and magnetic properties of four cyano-bridged bimetallic alternating chain complexes based on [CrIII(salen)(CN)2]− and [CrIII(bipy)(CN)4]− building blocks","New Journal of Chemistry","2013","37","4","941","","10.1039/c2nj41059a","","","0.71073","MoKα","","0.0701","0.055","","","0.1358","0.1464","","","","","","1.014","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053027","17.912","0.004","7.1061","0.0015","20.966","0.004","90","","107.44","0.002","90","","2546","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N2 O10 Zn -","- C28 H22 N2 O10 Zn -","- C112 H88 N8 O40 Zn4 -","4","0.5","","Hong, Xu-Jia; Wang, Ming-Fang; Jia, Hong-Yang; Li, Wei-Xing; Li, Jing; Liu, Yi-Ting; Jin, Hong-Guang; Cai, Yue-Peng","Assemblies of several supramolecular networks containing quinoline-2,3-dicarboxylic acid","New Journal of Chemistry","2013","37","4","933","","10.1039/c3nj40783g","","","0.71073","MoKα","","0.0831","0.0621","","","0.1918","0.2094","","","","","","1.127","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053028","7.4062","0.0017","9.136","0.002","9.415","0.003","110.466","0.004","98.32","0.004","111.664","0.003","526.5","0.2","298","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 N2 O10 Zn -","- C22 H16 N2 O10 Zn -","- C22 H16 N2 O10 Zn -","1","0.5","","Hong, Xu-Jia; Wang, Ming-Fang; Jia, Hong-Yang; Li, Wei-Xing; Li, Jing; Liu, Yi-Ting; Jin, Hong-Guang; Cai, Yue-Peng","Assemblies of several supramolecular networks containing quinoline-2,3-dicarboxylic acid","New Journal of Chemistry","2013","37","4","933","","10.1039/c3nj40783g","","","0.71073","MoKα","","0.065","0.0544","","","0.1362","0.1442","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053029","12.693","0.004","5.7903","0.0019","13.581","0.005","90","","115.966","0.004","90","","897.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 N2 O8 Zn -","- C22 H12 N2 O8 Zn -","- C44 H24 N4 O16 Zn2 -","2","0.5","","Hong, Xu-Jia; Wang, Ming-Fang; Jia, Hong-Yang; Li, Wei-Xing; Li, Jing; Liu, Yi-Ting; Jin, Hong-Guang; Cai, Yue-Peng","Assemblies of several supramolecular networks containing quinoline-2,3-dicarboxylic acid","New Journal of Chemistry","2013","37","4","933","","10.1039/c3nj40783g","","","0.71073","MoKα","","0.0892","0.0512","","","0.1146","0.1322","","","","","","1.09","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053030","8.4656","0.0016","8.9809","0.0018","9.2251","0.0018","76.535","0.002","85.007","0.002","74.037","0.002","655.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 N2 O10 S2 Zn -","- C26 H24 N2 O10 S2 Zn -","- C26 H24 N2 O10 S2 Zn -","1","0.5","","Hong, Xu-Jia; Wang, Ming-Fang; Jia, Hong-Yang; Li, Wei-Xing; Li, Jing; Liu, Yi-Ting; Jin, Hong-Guang; Cai, Yue-Peng","Assemblies of several supramolecular networks containing quinoline-2,3-dicarboxylic acid","New Journal of Chemistry","2013","37","4","933","","10.1039/c3nj40783g","","","0.71073","MoKα","","0.0684","0.0557","","","0.1385","0.1481","","","","","","1.015","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053031","7.2673","0.0008","33.408","0.003","7.3747","0.0008","90","","98.931","0.005","90","","1768.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 F N4 O3 -","- C21 H13 F N4 O3 -","- C84 H52 F4 N16 O12 -","4","1","","Liu, Xiang; Li, Jihui; Chen, Baohua","One-pot synthesis of 2,4,5-trisubstituted 1,2,3-triazoles through the cascade reactions of acid chlorides, terminal acetylenes, sodium azide and aryl halides","New Journal of Chemistry","2013","37","4","965","","10.1039/c3nj40912k","","","0.71073","MoKα","","0.068","0.0591","","","0.175","0.1818","","","","","","1.403","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053032","21.9206","0.0011","10.1128","0.0005","23.1925","0.0012","90","","96.119","0.002","90","","5112","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H62 Br4 N2 O4 Zr -","- C51 H62 Br4 N2 O4 Zr -","- C204 H248 Br16 N8 O16 Zr4 -","4","1","","Saha, Tanmoy Kumar; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Imino phenoxide complexes of group 4 metals: synthesis, structural characterization and polymerization studies","New Journal of Chemistry","2013","37","4","949","","10.1039/c3nj40916c","","","0.71073","MoKα","","0.0864","0.0453","","","0.1042","0.1211","","","","","","1.007","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053033","24.4152","0.0013","13.135","0.0006","18.3821","0.001","90","","116.306","0.003","90","","5284.5","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 Br4 N4 O4 Ti -","- C48 H60 Br4 N4 O4 Ti -","- C192 H240 Br16 N16 O16 Ti4 -","4","0.5","","Saha, Tanmoy Kumar; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Imino phenoxide complexes of group 4 metals: synthesis, structural characterization and polymerization studies","New Journal of Chemistry","2013","37","4","949","","10.1039/c3nj40916c","","","0.71073","MoKα","","0.0804","0.0458","","","0.1233","0.1408","","","","","","1.052","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053034","16.4326","0.0009","21.783","0.0011","25.0841","0.0013","88.239","0.002","85.703","0.002","79.019","0.002","8788.5","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H68 Hf N2 O4 -","- C41 H68 Hf N2 O4 -","- C328 H544 Hf8 N16 O32 -","8","4","","Saha, Tanmoy Kumar; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Imino phenoxide complexes of group 4 metals: synthesis, structural characterization and polymerization studies","New Journal of Chemistry","2013","37","4","949","","10.1039/c3nj40916c","","","0.71073","MoKα","","0.0818","0.0556","","","0.1507","0.1779","","","","","","1.219","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053035","10.1011","0.0017","11.4452","0.0018","15.124","0.002","69.997","0.007","81.79","0.007","73.284","0.007","1571.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H8 O S8 -","- C11 H8 O S8 -","- C44 H32 O4 S32 -","4","2","","Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc","Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation","New Journal of Chemistry","2013","37","4","992","","10.1039/c3nj41097h","","","0.71073","MoKα","","0.0457","0.0336","","","0.0875","0.1052","","","","","","1.089","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053036","15.341","0.003","29.058","0.006","5.1928","0.001","90","","90","","90","","2314.8","0.8","150","2","150","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C16 H14 S12 -","- C16 H14 S12 -","- C64 H56 S48 -","4","1","","Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc","Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation","New Journal of Chemistry","2013","37","4","992","","10.1039/c3nj41097h","","","0.71073","MoKα","","0.0891","0.0646","","","0.1468","0.1655","","","","","","1.058","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053037","14.1392","0.0002","6.9205","0.0001","30.6289","0.0005","90","","94.125","0.001","90","","2989.28","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O S6 -","- C12 H10 O S6 -","- C96 H80 O8 S48 -","8","1","","Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc","Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation","New Journal of Chemistry","2013","37","4","992","","10.1039/c3nj41097h","","","0.71073","MoKα","","0.0483","0.0369","","","0.0843","0.0893","","","","","","1.156","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053038","7.569","0.005","14.725","0.005","18.158","0.005","95.476","0.005","90.546","0.005","91.274","0.005","2013.9","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 O2 S13 -","- C30 H34 O2 S13 -","- C60 H68 O4 S26 -","2","1","","Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc","Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation","New Journal of Chemistry","2013","37","4","992","","10.1039/c3nj41097h","","","0.71073","MoKα","","0.1813","0.0668","","","0.1683","0.2442","","","","","","0.966","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053039","49.363","0.0007","16.337","0.0003","22.309","0.0004","90","","115.934","0.001","90","","16179.2","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H46 Co2 F24 I2 N8 O14.5 -","- C62 H46 Co2 F24 I2 N8 O14.5 -","- C496 H368 Co16 F192 I16 N64 O116 -","8","1","","Vaz, Maria G. F.; Akpinar, Handan; Guedes, Guilherme P.; Santos, Sauli; Novak, Miguel A.; Lahti, Paul M.","Two co-crystalline M(hfac)2(IPhIN)2·M(hfac)2 (M = Mn, Co) compounds with a bis(iminoylnitroxide) biradical: structure and magnetism","New Journal of Chemistry","2013","37","7","1927","","10.1039/c3nj00047h","","x-ray","0.71073","MoKα","","0.0842","0.0575","","","0.1514","0.1688","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053040","49.475","0.0008","16.483","0.0003","22.224","0.0004","90","0.001","115.247","0.001","90","0.001","16392.4","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C124 H114 F48 I4 Mn4 N16 O29 -","- C124 H114 F48 I4 Mn4 N16 O29 -","- C496 H456 F192 I16 Mn16 N64 O116 -","4","0.5","","Vaz, Maria G. F.; Akpinar, Handan; Guedes, Guilherme P.; Santos, Sauli; Novak, Miguel A.; Lahti, Paul M.","Two co-crystalline M(hfac)2(IPhIN)2·M(hfac)2 (M = Mn, Co) compounds with a bis(iminoylnitroxide) biradical: structure and magnetism","New Journal of Chemistry","2013","37","7","1927","","10.1039/c3nj00047h","","x-ray","0.71073","MoKα","","0.0878","0.0564","","","0.1382","0.1545","","","","","","1.026","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053041","12.9597","0.0011","9.6741","0.0008","13.3527","0.0011","90","","100.796","0.002","90","","1644.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N O3 -","- C19 H14 Cl N O3 -","- C76 H56 Cl4 N4 O12 -","4","1","","Wang, Zheng; Shi, Ying; Luo, Xiaoyan; Han, De-Man; Deng, Wei-Ping","Direct synthesis of pyrroles via 1,3-dipolar cycloaddition of azomethine ylides with ynones","New Journal of Chemistry","2013","37","6","1742","","10.1039/c3nj00067b","","","0.71073","MoKα","","0.0495","0.0401","","","0.1026","0.1103","","","","","","1.027","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053042","5.565","0.0005","13.292","0.0016","10.0843","0.0012","90","","96.248","0.009","90","","741.5","0.14","","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Thiophen-2-yl-1,2,4-triazine","","- C7 H5 N3 S -","- C7 H5 N3 S -","- C28 H20 N12 S4 -","4","1","","Branowska, Danuta; Chaciak, Bartosz; Siuchta, Olga; Olender, Ewa; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw; Poronik, Eugenij; Wysocki, Waldemar; Karczmarzyk, Zbigniew; Skora, Lukasz; Filapek, Michał; Krompiec, Stanislaw; Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw","Synthesis, photophysics and electrochemistry of novel, nitrogen-containing heterocyclic derivatives","New Journal of Chemistry","2013","37","7","1982","","10.1039/c3nj00078h","","","","","","0.115","0.0921","","","0.2418","0.2595","","","","","","","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053043","13.4965","0.0005","6.1169","0.0003","13.1345","0.0005","90","","95.157","0.002","90","","1079.95","0.08","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2,2'-Bithiophen-5-yl)-1,2,4-triazine","","- C11 H7 N3 S2 -","- C11 H7 N3 S2 -","- C44 H28 N12 S8 -","4","1","","Branowska, Danuta; Chaciak, Bartosz; Siuchta, Olga; Olender, Ewa; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw; Poronik, Eugenij; Wysocki, Waldemar; Karczmarzyk, Zbigniew; Skora, Lukasz; Filapek, Michał; Krompiec, Stanislaw; Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw","Synthesis, photophysics and electrochemistry of novel, nitrogen-containing heterocyclic derivatives","New Journal of Chemistry","2013","37","7","1982","","10.1039/c3nj00078h","","","","","","0.0458","0.044","","","0.1195","0.1238","","","","","","","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053044","17.137","0.0012","11.457","0.0016","17.233","0.0015","90","","95.355","0.005","90","","3368.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 N2 O8 Ti2 -","- C60 H108 N2 O8 Ti2 -","- C120 H216 N4 O16 Ti4 -","2","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide","New Journal of Chemistry","2013","37","7","1996","","10.1039/c3nj00111c","","","0.71073","MoKα","","0.1157","0.0576","","","0.1211","0.1481","","","","","","1.022","","","","has coordinates,has disorder","301851","2025-08-21","20:32:43",""
"7053045","9.569","0.001","11.6","0.0007","11.819","0.0013","109.497","0.005","96.776","0.004","93.635","0.005","1220.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 Al2 N2 O4 -","- C48 H80 Al2 N2 O4 -","- C48 H80 Al2 N2 O4 -","1","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide","New Journal of Chemistry","2013","37","7","1996","","10.1039/c3nj00111c","","","0.71073","MoKα","","0.1313","0.0782","","","0.1813","0.2188","","","","","","1.013","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053046","6.487","0.0006","7.668","0.0007","17.385","0.0014","98.515","0.005","90.729","0.005","94.709","0.005","852.08","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Al2 N2 O2 -","- C34 H52 Al2 N2 O2 -","- C34 H52 Al2 N2 O2 -","1","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide","New Journal of Chemistry","2013","37","7","1996","","10.1039/c3nj00111c","","","0.71073","MoKα","","0.057","0.0428","","","0.1069","0.118","","","","","","1.04","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053047","10.423","0.0002","22.81","0.0005","12.501","0.0002","90","","114.617","0.001","90","","2701.97","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 N O4 Ti -","- C24 H41 N O4 Ti -","- C96 H164 N4 O16 Ti4 -","4","1","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide","New Journal of Chemistry","2013","37","7","1996","","10.1039/c3nj00111c","","","0.71073","MoKα","","0.0892","0.0691","","","0.1764","0.1912","","","","","","1.11","","","","has coordinates,has disorder","301851","2025-08-21","20:32:43",""
"7053048","8.835","0.0002","10.756","0.0003","20.488","0.0007","95.503","0.001","90.585","0.001","97.92","0.001","1918.96","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H49 Cl2 N O4 Ti -","- C40 H49 Cl2 N O4 Ti -","- C80 H98 Cl4 N2 O8 Ti2 -","2","1","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide","New Journal of Chemistry","2013","37","7","1996","","10.1039/c3nj00111c","","","0.71073","MoKα","","0.0685","0.0493","","","0.1165","0.1291","","","","","","1.046","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053049","5.7744","0.0003","15.2403","0.0008","7.9988","0.0004","90","","92.736","0.004","90","","703.12","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Belmar, Julio; Quezada, José; Jiménez, Claudio A.; Díaz-Gallifa, Pau; Pasán, Jorge; Ruiz-Pérez, Catalina","Synthesis, crystal structures and tautomerism in novel oximes based on hydroxyalkylpyrazolones","New Journal of Chemistry","2013","37","7","2002","","10.1039/c3nj00163f","","","1.5418","CuKα","","0.047","0.0414","","","0.1059","0.113","","","","","","0.988","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053050","8.298","0.002","15.1999","0.0005","12.458","0.003","90","","149.966","0.003","90","","786.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","","Belmar, Julio; Quezada, José; Jiménez, Claudio A.; Díaz-Gallifa, Pau; Pasán, Jorge; Ruiz-Pérez, Catalina","Synthesis, crystal structures and tautomerism in novel oximes based on hydroxyalkylpyrazolones","New Journal of Chemistry","2013","37","7","2002","","10.1039/c3nj00163f","","","1.54184","CuKα","","0.0456","0.0429","","","0.1176","0.121","","","","","","0.996","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053051","15.8072","0.0007","4.92528","0.00015","16.3792","0.0007","90","","116.696","0.005","90","","1139.27","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C44 H44 N12 O12 -","4","1","","Belmar, Julio; Quezada, José; Jiménez, Claudio A.; Díaz-Gallifa, Pau; Pasán, Jorge; Ruiz-Pérez, Catalina","Synthesis, crystal structures and tautomerism in novel oximes based on hydroxyalkylpyrazolones","New Journal of Chemistry","2013","37","7","2002","","10.1039/c3nj00163f","","","1.54184","CuKα","","0.0575","0.0378","","","0.1265","0.1325","","","","","","1.22","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053052","19.586","0.002","5.6198","0.0007","13.7767","0.0016","90","","125.672","0.002","90","","1231.9","0.2","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","0.5","","Li, Chenyu; Luo, Xiaoliang; Zhao, Weijun; Li, Cuihong; Liu, Zhengping; Bo, Zhishan; Dong, Yuping; Dong, Yong Qiang; Tang, Ben Zhong","Switching the emission of tetrakis(4-methoxyphenyl)ethylene among three colors in the solid state","New Journal of Chemistry","2013","37","6","1696","","10.1039/c3nj00063j","","","0.71073","MoKα","","0.0399","0.0328","","","0.0863","0.0907","","","","","","1.059","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053053","15.363","0.003","18.607","0.004","11.891","0.002","90","","102.51","0.03","90","","3318.5","1.2","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H54 N6 O7 Re2 -","- C78 H54 N6 O7 Re2 -","- C156 H108 N12 O14 Re4 -","2","0.5","","Chung, Wai-Kin; Wong, Keith Man-Chung; Lam, Wai Han; Zhu, Xiuling; Zhu, Nianyong; Kwok, Hoi-Sing; Yam, Vivian Wing-Wah","Syntheses, photophysical, electroluminescence and computational studies of rhenium(i) diimine triarylamine-containing alkynyl complexes","New Journal of Chemistry","2013","37","6","1753","","10.1039/c3nj00121k","","","0.71073","MoKα","","0.0362","0.0298","","","0.0747","0.0766","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7053054","15.543","0.003","12.047","0.002","18.937","0.004","90","","110.57","0.03","90","","3319.8","1.3","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 N3 O3 Re -","- C39 H26 N3 O3 Re -","- C156 H104 N12 O12 Re4 -","4","1","","Chung, Wai-Kin; Wong, Keith Man-Chung; Lam, Wai Han; Zhu, Xiuling; Zhu, Nianyong; Kwok, Hoi-Sing; Yam, Vivian Wing-Wah","Syntheses, photophysical, electroluminescence and computational studies of rhenium(i) diimine triarylamine-containing alkynyl complexes","New Journal of Chemistry","2013","37","6","1753","","10.1039/c3nj00121k","","","0.71073","MoKα","","0.0535","0.0329","","","0.0763","0.0803","","","","","","0.898","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053055","36.572","0.007","12.522","0.003","23.379","0.005","90","","124.77","0.03","90","","8795","5","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H42 Cl4 N3 O3 Re -","- C43 H42 Cl4 N3 O3 Re -","- C344 H336 Cl32 N24 O24 Re8 -","8","1","","Chung, Wai-Kin; Wong, Keith Man-Chung; Lam, Wai Han; Zhu, Xiuling; Zhu, Nianyong; Kwok, Hoi-Sing; Yam, Vivian Wing-Wah","Syntheses, photophysical, electroluminescence and computational studies of rhenium(i) diimine triarylamine-containing alkynyl complexes","New Journal of Chemistry","2013","37","6","1753","","10.1039/c3nj00121k","","","0.71073","MoKα","","0.0684","0.0443","","","0.1146","0.1199","","","","","","0.931","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053056","17.1501","0.0005","11.1874","0.0009","20.5208","0.0011","90","","105.596","0.004","90","","3792.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H33 N8 O13 Sm Zn -","- C32 H33 N8 O13 Sm Zn -","- C128 H132 N32 O52 Sm4 Zn4 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d–4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0689","0.0477","","","0.1214","0.1292","","","","","","1.038","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053057","12.9132","0.0005","19.373","0.0006","15.1871","0.0006","90","","98.684","0.003","90","","3755.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Eu N8 Ni O14 -","- C32 H35 Eu N8 Ni O14 -","- C128 H140 Eu4 N32 Ni4 O56 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d–4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0547","0.0305","","","0.0519","0.0563","","","","","","0.9","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053058","12.8862","0.0005","19.4017","0.0006","15.1766","0.0006","90","","98.747","0.003","90","","3750.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Gd N8 Ni O14 -","- C32 H35 Gd N8 Ni O14 -","- C128 H140 Gd4 N32 Ni4 O56 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d–4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0732","0.0395","","","0.0575","0.0638","","","","","","1.006","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053059","12.8557","0.0005","19.4086","0.0007","15.1631","0.0007","90","","99.045","0.004","90","","3736.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Dy N8 Ni O14 -","- C32 H35 Dy N8 Ni O14 -","- C128 H140 Dy4 N32 Ni4 O56 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d–4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.042","0.0272","","","0.0522","0.056","","","","","","1.002","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053060","12.8478","0.0005","19.3966","0.0006","15.1553","0.0005","90","","98.995","0.003","90","","3730.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Ho N8 Ni O14 -","- C32 H35 Ho N8 Ni O14 -","- C128 H140 Ho4 N32 Ni4 O56 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d–4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0495","0.0296","","","0.0496","0.0534","","","","","","0.955","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053061","16.8588","0.0007","11.2386","0.0003","20.4501","0.001","90","","104.911","0.004","90","","3744.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H33 Cu Eu N8 O13 -","- C32 H33 Cu Eu N8 O13 -","- C128 H132 Cu4 Eu4 N32 O52 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d–4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0845","0.0516","","","0.1095","0.1202","","","","","","1.033","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053062","16.8607","0.0006","11.2122","0.0004","20.4234","0.0007","90","","104.879","0.003","90","","3731.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H33 Cu Gd N8 O13 -","- C32 H33 Cu Gd N8 O13 -","- C128 H132 Cu4 Gd4 N32 O52 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d–4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0881","0.0498","","","0.1138","0.1257","","","","","","1.038","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053063","21.981","0.0008","12.7911","0.0003","16.9394","0.0007","90","","130.558","0.002","90","","3618.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 N8 O13 Sm Zn -","- C30 H29 N8 O13 Sm Zn -","- C120 H116 N32 O52 Sm4 Zn4 -","4","0.5","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0232","0.0191","","","0.0465","0.0476","","","","","","0.994","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053064","21.9113","0.0018","12.7257","0.0007","16.8798","0.0015","90","","130.47","0.03","90","","3580.6","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 Gd N8 O13 Zn -","- C30 H29 Gd N8 O13 Zn -","- C120 H116 Gd4 N32 O52 Zn4 -","4","0.5","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0446","0.0319","","","0.0611","0.0635","","","","","","0.935","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053065","21.9564","0.0015","12.7382","0.0005","16.9246","0.0013","90","","130.408","0.005","90","","3604.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 N8 O13 Tb Zn -","- C30 H29 N8 O13 Tb Zn -","- C120 H116 N32 O52 Tb4 Zn4 -","4","0.5","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0362","0.0264","","","0.0549","0.0568","","","","","","0.939","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053066","21.795","0.002","12.7388","0.0014","16.8446","0.0019","90","","130.612","0.006","90","","3550.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 Eu N8 O13 Zn -","- C30 H29 Eu N8 O13 Zn -","- C120 H116 Eu4 N32 O52 Zn4 -","4","0.5","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0449","0.0339","","","0.0762","0.0793","","","","","","0.922","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053067","14.4975","0.0008","23.6838","0.0016","23.5318","0.0016","90","","104.979","0.006","90","","7805.2","0.9","293","2","293","2","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C28 H34 N7 Ni O17 Sm -","- C28 H30 N7 Ni O17 Sm -","- C224 H240 N56 Ni8 O136 Sm8 -","8","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0661","0.0308","","","0.0505","0.0562","","","","","","0.81","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053068","12.966","0.002","13.261","0.002","13.785","0.002","71.469","0.013","67.302","0.013","77.851","0.013","2062.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Eu N9 Ni O14 -","- C32 H32 Eu N9 Ni O14 -","- C64 H64 Eu2 N18 Ni2 O28 -","2","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.1327","0.0651","","","0.0954","0.1123","","","","","","0.858","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053069","10.037","0.003","16.03","0.004","14.767","0.004","90","","109.64","0.007","90","","2237.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 N Sc Si -","- C21 H36 N Sc Si -","- C84 H144 N4 Sc4 Si4 -","4","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.7107","MoKα","","0.1675","0.1056","","","0.2371","0.2775","","","","","","1.181","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053070","27.0591","0.0011","9.9549","0.0003","17.3059","0.0007","90","","112.102","0.005","90","","4319.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 N Si Y -","- C21 H36 N Si Y -","- C168 H288 N8 Si8 Y8 -","8","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.7107","MoKα","","0.0515","0.0357","","","0.0803","0.0848","","","","","","1.041","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053071","26.9928","0.0009","9.9102","0.0002","17.1932","0.0005","90","","112.218","0.004","90","","4257.8","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Lu N Si -","- C21 H36 Lu N Si -","- C168 H288 Lu8 N8 Si8 -","8","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.7107","MoKα","","0.0376","0.0262","","","0.0509","0.0543","","","","","","1.073","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053072","10.7456","0.0016","10.7843","0.0013","16.231","0.002","108.818","0.006","93.485","0.008","94.941","0.01","1765.9","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H54 N3 Sc Si5 -","- C22.92 H33 N2.99 Sc Si4.98 -","- C45.84 H66 N5.98 Sc2 Si9.96 -","2","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.71075","MoKα","","0.115","0.079","","","0.2222","0.2485","","","","","","1.099","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053073","9.934","0.0004","19.5918","0.0007","17.466","0.0013","90","","97.036","0.005","90","","3373.7","0.3","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H54 N3 Si5 Y -","- C23 H54 N3 Si5 Y -","- C92 H216 N12 Si20 Y4 -","4","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.7107","MoKα","","0.0684","0.0436","","","0.0906","0.0971","","","","","","1","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053074","9.9233","0.0003","19.4249","0.0005","17.3278","0.0005","90","","96.934","0.002","90","","3315.66","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H54 Lu N3 Si5 -","- C23 H54 Lu N3 Si5 -","- C92 H216 Lu4 N12 Si20 -","4","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.7107","MoKα","","0.0403","0.0294","","","0.0565","0.0601","","","","","","1.001","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053075","7.076","0.003","8.7129","0.0011","15.6143","0.0019","86.398","0.015","76.694","0.012","81.384","0.01","925.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 Co O8 -","- C21 H16 Co O8 -","- C42 H32 Co2 O16 -","2","1","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.2201","0.0534","","","0.089","0.1194","","","","","","0.968","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053076","19.554","0.004","14.761","0.003","8.3825","0.0016","90","","90","","90","","2419.5","0.8","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H18 Co N2 O6 -","- C30 H18 Co N2 O6 -","- C120 H72 Co4 N8 O24 -","4","","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.1456","0.0618","","","0.0944","0.1084","","","","","","1.008","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053077","9.2002","0.0003","16.3387","0.0005","16.4478","0.0005","90","","90","","90","","2472.42","0.13","293","2","293","2","","","","","","","","5","P b n n","-P 2n 2b","52","","","","- C30 H18 Cd N2 O6 -","- C30 H18 Cd N2 O6 -","- C120 H72 Cd4 N8 O24 -","4","0.5","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.0371","0.0283","","","0.0698","0.0741","","","","","","1.041","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053078","13.6277","0.0003","13.6277","0.0003","21.4357","0.0003","90","","90","","90","","3980.91","0.14","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C21 H18 Co O9 -","- C21 H18 Co O9 -","- C168 H144 Co8 O72 -","8","1","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.1682","0.0748","","","0.1693","0.2138","","","","","","0.974","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053079","8.2341","0.0001","8.2839","0.0002","11.321","0.0001","69.656","0.001","72.198","0.001","61.084","0.001","624.801","0.019","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cu N4 O6 -","- C28 H22 Cu N4 O6 -","- C28 H22 Cu N4 O6 -","1","0.5","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.0923","0.0636","","","0.1322","0.1507","","","","","","1.072","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053080","19.6716","0.0011","14.8036","0.0008","8.3806","0.0005","90","","90","","90","","2440.5","0.2","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H18 N2 O6 Zn -","- C30 H18 N2 O6 Zn -","- C120 H72 N8 O24 Zn4 -","4","","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.0751","0.0421","","","0.0758","0.0875","","","","","","1.063","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053081","45.859","0.004","6.0059","0.0004","15.782","0.001","90","","105.08","0.004","90","","4197.1","0.5","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O2 S2 -","- C24 H24 N2 O2 S2 -","- C192 H192 N16 O16 S16 -","8","1","","Mikata, Yuji; Nakagaki, Fumie; Nakanishi, Kaori","Thioether-tethered bisquinoline derivatives as fluorescent probes for mercury(ii) and iron(iii) ions","New Journal of Chemistry","2013","37","8","2236","","10.1039/c3nj00233k","","","0.7107","MoKα","","","0.0424","","","","0.1105","","","","","","1.086","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053082","14.2333","0.0007","14.4741","0.0007","15.0775","0.0009","101.041","0.0015","113.072","0.0008","111.103","0.0003","2457.8","0.2","123.1","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 Cl2 Hg N2 O8 S2 -","- C22 H20 Cl2 Hg N2 O8 S2 -","- C88 H80 Cl8 Hg4 N8 O32 S8 -","4","2","","Mikata, Yuji; Nakagaki, Fumie; Nakanishi, Kaori","Thioether-tethered bisquinoline derivatives as fluorescent probes for mercury(ii) and iron(iii) ions","New Journal of Chemistry","2013","37","8","2236","","10.1039/c3nj00233k","","","0.7107","MoKα","","","0.0364","","","","0.0856","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053083","14.1182","0.0007","14.1182","0.0007","12.4604","0.0011","90","","90","","90","","2483.7","0.3","150","2","150","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- Co H48 K4 O62 Si W11 -","- Co0.96 K4 O62 Si W11.04 -","- Co1.92 K8 O124 Si2 W22.08 -","2","0.125","","Balula, Salete S.; Cunha-Silva, Luís; Santos, Isabel C. M. S.; Estrada, Ana C.; Fernandes, A. C.; Cavaleiro, José A. S.; Pires, João; Freire, Cristina; Cavaleiro, Ana M. V.","Mono-substituted silicotungstates as active catalysts for sustainable oxidations: homo- and heterogeneous performance","New Journal of Chemistry","2013","37","8","2341","","10.1039/c3nj00243h","","","0.71073","MoKα","","0.0409","0.0382","","","0.0952","0.0971","","","","","","1.15","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053084","17.928","0.005","10.121","0.005","21.863","0.005","90","","113.697","0.005","90","","3633","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu O8 P S4 -","- C36 H32 Cu O8 P S4 -","- C144 H128 Cu4 O32 P4 S16 -","4","1","","Tripathi, Kumud Malika; Begum, Ameerunisha; Sonkar, Sumit Kumar; Sarkar, Sabyasachi","Nanospheres of copper(iii) 1,2-dicarbomethoxy-1,2-dithiolate and its composite with water soluble carbon nanotubes","New Journal of Chemistry","2013","37","9","2708","","10.1039/c3nj00368j","","","0.71073","MoKα","","0.0794","0.0535","","","0.1353","0.1809","","","","","","1.062","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053085","17.251","0.003","12.4954","0.0019","28.007","0.004","90","","97.612","0.003","90","","5983.9","1.6","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C104.9 H160.8 Cl5.8 N19 O20 P2 S2 -","- C104 H148 Cl4 N19 O20 P2 S2 -","- C208 H296 Cl8 N38 O40 P4 S4 -","2","0.5","","Zhang, Yanlei; Zhang, Rui; Zhao, Yanxia; Ji, Liguo; Jia, Chuandong; Wu, Biao","Anion binding of tris-(thio)urea ligands","New Journal of Chemistry","2013","37","8","2266","","10.1039/c3nj00401e","","","0.71073","MoKα","","0.1157","0.0845","","","0.2508","0.2771","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053086","20.3327","0.0003","7.2956","0.0001","26.1828","0.0005","90","","114.731","0.002","90","","3527.71","0.11","100","1","100","1","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B Cl2 F2 N3 -","- C18 H16 B Cl2 F2 N3 -","- C144 H128 B8 Cl16 F16 N24 -","8","1","","Bartelmess, Juergen; Weare, Walter W.; Latortue, Narah; Duong, Christina; Jones, Daniel S.","meso-Pyridyl BODIPYs with tunable chemical, optical and electrochemical properties","New Journal of Chemistry","2013","37","9","2663","","10.1039/c3nj00426k","","x-ray","1.54184","CuKα","","0.0261","0.025","","","0.066","0.067","","","","","","1.049","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053087","7.3678","0.0001","22.1323","0.0003","10.9276","0.0002","90","","109.642","0.002","90","","1678.24","0.05","100","1","100","1","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 B Cl F2 N3 -","- C18 H17 B Cl F2 N3 -","- C72 H68 B4 Cl4 F8 N12 -","4","1","","Bartelmess, Juergen; Weare, Walter W.; Latortue, Narah; Duong, Christina; Jones, Daniel S.","meso-Pyridyl BODIPYs with tunable chemical, optical and electrochemical properties","New Journal of Chemistry","2013","37","9","2663","","10.1039/c3nj00426k","","x-ray","1.54184","CuKα","","0.0372","0.0352","","","0.0918","0.0933","","","","","","1.085","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053088","8.925","0.003","7.601","0.002","26.621","0.008","90","","92.886","0.004","90","","1803.6","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3-Bis(S)1,2,3,4-tetrahydronaphtalen-1-yl)urea","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","2","","Trejo-Huizar, Karla Elisa; Ortiz-Rico, Ricardo; Peña-González, María de los Angeles; Hernández-Rodríguez, Marcos","Recognition of chiral carboxylates by 1,3-disubstituted thioureas with 1-arylethyl scaffolds","New Journal of Chemistry","2013","37","9","2610","","10.1039/c3nj00644a","","","0.71073","MoKα","","0.1004","0.0676","","","0.1135","0.1258","","","","","","1.095","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053089","9.5896","0.0001","13.9112","0.0002","16.3886","0.0003","109.382","0.001","94.1999","0.0011","107.952","0.0009","1924.07","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H79 Fe3 N28 O14 Th2 -","- C48 H79 Fe3 N28 O14 Th2 -","- C48 H79 Fe3 N28 O14 Th2 -","1","0.5","","Dumas, Thomas; Charbonnel, Marie Christine; Charushnikova, Iraida A.; Conradson, Steven D.; Fillaux, Clara; Hennig, Christoph; Moisy, Philippe; Petit, Sébastien; Scheinost, Andreas C.; Shuh, David K.; Tyliszczak, Tolek; Auwer, Christophe Den","Multi-edge X-ray absorption spectroscopy of thorium, neptunium and plutonium hexacyanoferrate compounds","New Journal of Chemistry","2013","37","10","3003","","10.1039/c3nj00318c","","","0.71073","MoKα","","0.0408","0.0354","","","0.0925","0.095","","","","","","1.072","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053090","9.7335","0.0019","17.276","0.004","10.034","0.002","90","","99.91","0.03","90","","1662.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H38 Fe N11 O12 Th -","- C18 H38 Fe N11 O12 Th -","- C36 H76 Fe2 N22 O24 Th2 -","2","0.5","","Dumas, Thomas; Charbonnel, Marie Christine; Charushnikova, Iraida A.; Conradson, Steven D.; Fillaux, Clara; Hennig, Christoph; Moisy, Philippe; Petit, Sébastien; Scheinost, Andreas C.; Shuh, David K.; Tyliszczak, Tolek; Auwer, Christophe Den","Multi-edge X-ray absorption spectroscopy of thorium, neptunium and plutonium hexacyanoferrate compounds","New Journal of Chemistry","2013","37","10","3003","","10.1039/c3nj00318c","","","0.71073","MoKα","","0.0478","0.0407","","","0.1066","0.1101","","","","","","1.08","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053091","4.5858","0.0001","12.6009","0.0002","21.26","0.0004","90","","94.044","0.0007","90","","1225.45","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminosalicylic acid - nicotinamide cocrystal","","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C52 H52 N12 O16 -","4","1","","Sarcevica, Inese; Orola, Liana; Belyakov, Sergey; Veidis, Mikelis V.","Spontaneous cocrystal hydrate formation in the solid state: crystal structure aspects and kinetics","New Journal of Chemistry","2013","37","10","2978","","10.1039/c3nj00489a","","","0.71069","MoKα","","0.0506","0.0379","","","0.0903","0.0971","","","","","","1.029","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053092","16.9534","0.0018","12.6293","0.0013","26.729","0.003","90","","92.474","0.002","90","","5717.6","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H132 Ag20 N14 O33 S10 -","- C59 H132 Ag20 N14 O33 S10 -","- C118 H264 Ag40 N28 O66 S20 -","2","0.5","","Yuan, Shuai; Deng, Yong-Kai; Wang, Xing-Po; Sun, Di","A temperature-sensitive luminescent Ag20 nanocluster templated by carbonate in situ generated from atmospheric CO2 fixation","New Journal of Chemistry","2013","37","10","2973","","10.1039/c3nj00645j","","","0.71073","MoKα","","0.1661","0.0888","","","0.1933","0.2309","","","","","","1.001","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053093","6.9519","0.0006","14.9904","0.0013","12.8623","0.0013","90","","103.276","0.006","90","","1304.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-pyridyl)-imidazole, silver(I) perchlorate","","- C10 H10 Ag Cl N4 O4 -","- C10 H10 Ag Cl N4 O4 -","- C40 H40 Ag4 Cl4 N16 O16 -","4","1","","Abul Haj, Mohammad; Aakeröy, Christer B.; Desper, John","Silver(i) coordination chemistry: from 1-D chains to molecular rectangles","New Journal of Chemistry","2013","37","1","204","","10.1039/c2nj40669a","","","0.71073","MoKα","","0.1227","0.0667","","","0.151","0.1769","","","","","","0.969","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053094","6.7927","0.0003","15.7016","0.0007","13.1938","0.0006","90","","102.723","0.002","90","","1372.65","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-pyridyl)-imidazole, silver(I) hexafluorophosphate","","- C10 H10 Ag F6 N4 P -","- C10 H10 Ag F6 N4 P -","- C40 H40 Ag4 F24 N16 P4 -","4","1","","Abul Haj, Mohammad; Aakeröy, Christer B.; Desper, John","Silver(i) coordination chemistry: from 1-D chains to molecular rectangles","New Journal of Chemistry","2013","37","1","204","","10.1039/c2nj40669a","","","0.71073","MoKα","","0.0353","0.0278","","","0.0621","0.0648","","","","","","1.02","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053095","6.4496","0.0005","13.5953","0.0011","8.6168","0.0006","90","","94.244","0.003","90","","753.49","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(2-imidazolyl)-pyridine, silver(I)","","- C8 H6 Ag N3 -","- C8 H6 Ag N3 -","- C32 H24 Ag4 N12 -","4","1","","Abul Haj, Mohammad; Aakeröy, Christer B.; Desper, John","Silver(i) coordination chemistry: from 1-D chains to molecular rectangles","New Journal of Chemistry","2013","37","1","204","","10.1039/c2nj40669a","","","0.71073","MoKα","","0.0401","0.0321","","","0.0686","0.0712","","","","","","1.151","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053096","6.9704","0.0004","7.8319","0.0005","19.4544","0.0011","79.749","0.002","85.086","0.002","81.023","0.002","1030.46","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-(2-imidazolyl)-pyridine, silver(I) nitrate","","- C32 H34 Ag4 N16 O15 -","- C32 H34 Ag4 N16 O15 -","- C32 H34 Ag4 N16 O15 -","1","0.5","","Abul Haj, Mohammad; Aakeröy, Christer B.; Desper, John","Silver(i) coordination chemistry: from 1-D chains to molecular rectangles","New Journal of Chemistry","2013","37","1","204","","10.1039/c2nj40669a","","","0.71073","MoKα","","0.0305","0.0261","","","0.0568","0.0596","","","","","","1.092","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053097","13.736","0.0004","17.136","0.0005","23.276","0.0003","90","","123.993","0.0014","90","","4542.4","0.2","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 N2 O8 -","- C48 H62 N2 O8 -","- C192 H248 N8 O32 -","4","1","","Hudeček, Oldřich; Budka, Jan; Dvořáková, Hana; Cuřínová, Petra; Císařová, Ivana; Lhoták, Pavel","Anion receptors based on ureidocalix[4]arenes immobilised in the partial cone conformation","New Journal of Chemistry","2013","37","1","220","","10.1039/c2nj40724h","","","0.71073","MoKα","","0.097","0.0609","","","0.1683","0.1959","","","","","","0.999","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053098","16.6808","0.0008","16.6808","0.0008","52.257","0.005","90","","90","","120","","12592.4","1.5","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 Mn N4 O24 P6 -","- C15 H58 Mn N4 O24 P6 -","- C180 H696 Mn12 N48 O288 P72 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0798","0.0549","","","0.1507","0.1747","","","","","","1","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053099","16.6483","0.0006","16.6483","0.0006","51.521","0.003","90","","90","","120","","12366.7","1","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 Co N4 O24 P6 -","- C15 H58 Co N4 O24 P6 -","- C180 H696 Co12 N48 O288 P72 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0636","0.0497","","","0.1578","0.1724","","","","","","1.097","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053100","16.6093","0.0007","16.6093","0.0007","51.213","0.004","90","","90","","120","","12235.3","1.2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 N4 Ni O24 P6 -","- C15 H58 N4 Ni O24 P6 -","- C180 H696 N48 Ni12 O288 P72 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0654","0.0499","","","0.1496","0.1666","","","","","","1.048","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053101","16.6344","0.0015","16.6344","0.0015","51.382","0.007","90","","90","","120","","12313","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 N4 O24 P6 Zn -","- C15 H58 N4 O24 P6 Zn -","- C180 H696 N48 O288 P72 Zn12 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0769","0.0531","","","0.1458","0.1617","","","","","","1.061","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053102","10.382","0.002","11.335","0.003","12.001","0.005","113.852","0.008","99.102","0.008","108.116","0.006","1160.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Ag F6 N8 P -","- C54 H44 Ag F6 N8 P -","- C54 H44 Ag F6 N8 P -","1","0.5","","Dinda, Joydev; Adhikary, Sirsendu Das; Seth, Saikat Kumar; Mahapatra, Ambikesh","Carbazole functionalized luminescent silver(i), gold(i) and gold(iii)‒N-heterocyclic carbene complexes: a new synthetic disproportionation approach towards Au(i)‒NHC to provide Au(iii)‒NHC","New Journal of Chemistry","2013","37","2","431","","10.1039/c2nj40740j","","","0.71073","MoKα","","0.0479","0.0377","","","0.0789","0.0837","","","","","","1.029","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053103","10.107","0.002","11.469","0.001","12.087","0.002","113.244","0.001","100.451","0.003","106.521","0.001","1163.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Au F6 N8 P -","- C54 H44 Au F6 N8 P -","- C54 H44 Au F6 N8 P -","1","0.5","","Dinda, Joydev; Adhikary, Sirsendu Das; Seth, Saikat Kumar; Mahapatra, Ambikesh","Carbazole functionalized luminescent silver(i), gold(i) and gold(iii)‒N-heterocyclic carbene complexes: a new synthetic disproportionation approach towards Au(i)‒NHC to provide Au(iii)‒NHC","New Journal of Chemistry","2013","37","2","431","","10.1039/c2nj40740j","","","0.71073","MoKα","","0.0468","0.0441","","","0.104","0.1061","","","","","","1.069","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053104","7.6394","0.0009","15.8473","0.0018","8.8524","0.0011","90","","95.036","0.003","90","","1067.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Au Cl3 N3 -","- C22 H19 Au Cl3 N3 -","- C44 H38 Au2 Cl6 N6 -","2","1","","Dinda, Joydev; Adhikary, Sirsendu Das; Seth, Saikat Kumar; Mahapatra, Ambikesh","Carbazole functionalized luminescent silver(i), gold(i) and gold(iii)‒N-heterocyclic carbene complexes: a new synthetic disproportionation approach towards Au(i)‒NHC to provide Au(iii)‒NHC","New Journal of Chemistry","2013","37","2","431","","10.1039/c2nj40740j","","","0.71073","MoKα","","0.028","0.0256","","","0.0583","0.0593","","","","","","1.017","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053105","9.2067","0.0018","19.017","0.004","16.825","0.003","90","","100.56","0.03","90","","2895.9","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Cd N5 O9 S2 -","- C20 H14 Cd N4 O4 S2 -","- C80 H56 Cd4 N16 O16 S8 -","4","1","","zhou, Xiaojing; Zhang, Zhijuan; Li, Baiyan; Yang, Fen; Peng, Yu; Li, Guanghua; Shi, Zhan; Feng, Shouhua; Li, Jing","Two three-dimensional metal‒organic frameworks constructed by thiazole-spaced pyridinecarboxylates exhibiting selective gas sorption or antiferromagnetic coupling","New Journal of Chemistry","2013","37","2","425","","10.1039/c2nj40805h","","","0.71073","MoKα","","0.0588","0.0374","","","0.0673","0.0716","","","","","","0.865","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053106","9.1726","0.0018","18.956","0.004","16.748","0.003","90","","102.13","0.03","90","","2847.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Mn N5 O8 S2 -","- C20 H14 Mn N4 O4 S2 -","- C80 H56 Mn4 N16 O16 S8 -","4","1","","zhou, Xiaojing; Zhang, Zhijuan; Li, Baiyan; Yang, Fen; Peng, Yu; Li, Guanghua; Shi, Zhan; Feng, Shouhua; Li, Jing","Two three-dimensional metal‒organic frameworks constructed by thiazole-spaced pyridinecarboxylates exhibiting selective gas sorption or antiferromagnetic coupling","New Journal of Chemistry","2013","37","2","425","","10.1039/c2nj40805h","","","0.71073","MoKα","","0.0543","0.0354","","","0.0715","0.0753","","","","","","0.855","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053107","7.0234","0.0003","11.5161","0.0007","16.6952","0.0013","84.67","0.003","85.169","0.004","81.571","0.004","1326.56","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H31 I N4 O3 S3 -","- C21 H31 I N4 O3 S3 -","- C42 H62 I2 N8 O6 S6 -","2","1","","Park, Hee-Jun; Kim, Wooyul; Choi, Wonyong; Chung, Young Keun","Ruthenium(ii) complexes incorporating the bidentate ligand containing an imidazolium moiety: synthesis, characterization, and electrochemical properties and their application in a visible-light induced hydrogen-evolving system","New Journal of Chemistry","2013","37","10","3174","","10.1039/c3nj00014a","","","0.71073","MoKα","","0.1514","0.073","","","0.1492","0.1842","","","","","","1.03","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053108","12.8038","0.0007","12.9738","0.0007","15.058","0.0009","82.105","0.003","83.499","0.003","75.437","0.003","2389.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H39 F18 N8 O5 P3 Ru -","- C39 H29 F18 N8 P3 Ru -","- C78 H58 F36 N16 P6 Ru2 -","2","1","","Park, Hee-Jun; Kim, Wooyul; Choi, Wonyong; Chung, Young Keun","Ruthenium(ii) complexes incorporating the bidentate ligand containing an imidazolium moiety: synthesis, characterization, and electrochemical properties and their application in a visible-light induced hydrogen-evolving system","New Journal of Chemistry","2013","37","10","3174","","10.1039/c3nj00014a","","","0.71073","MoKα","","0.1049","0.0756","","","0.2176","0.2419","","","","","","0.963","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053109","8.242","0.001","8.242","0.001","22.569","0.004","90","","90","","120","","1327.7","0.3","298","2","298","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C3 H3 Fe O6 -","- C3 H3 Fe O6 -","- C18 H18 Fe6 O36 -","6","0.166667","","Paredes-García, Verónica; Rojas, Ignacio; Madrid, Rosa; Vega, Andres; Navarro-Moratalla, Efrén; Cañón-Mancisidor, Walter; Spodine, Evgenia; Venegas-Yazigi, Diego","Structural and magnetic characterization of the tridimensional network [Fe(HCO2)3]n·nHCO2H","New Journal of Chemistry","2013","37","7","2120","","10.1039/c3nj00023k","","","0.71073","MoKα","","0.0174","0.017","","","0.051","0.0513","","","","","","1.019","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053110","17.749","0.007","16.668","0.006","21.755","0.008","90","","94.496","0.008","90","","6416","4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.75 H40 N O11.75 S -","- C31 H33 N O10 S -","- C248 H264 N8 O80 S8 -","8","1","","Wu, Meng; Wang, Zi-Wen; Liu, Yu-Xiu; Song, Hai-Bin; Zhang, Ao; Meng, Ling-Hua; Wang, Qing-Min","Different salt derivatives of phenanthroindolizidine alkaloids display different in vitro antitumor activity","New Journal of Chemistry","2013","37","6","1817","","10.1039/c3nj00031a","","","0.71073","MoKα","","0.0562","0.045","","","0.122","0.1275","","","","","","1.041","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053111","13.8857","0.0015","16.496","0.002","19.62","0.003","90","","90.266","0.008","90","","4494.1","1","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H32 Cl N O5 -","- C25 H32 Cl N O5 -","- C200 H256 Cl8 N8 O40 -","8","1","","Wu, Meng; Wang, Zi-Wen; Liu, Yu-Xiu; Song, Hai-Bin; Zhang, Ao; Meng, Ling-Hua; Wang, Qing-Min","Different salt derivatives of phenanthroindolizidine alkaloids display different in vitro antitumor activity","New Journal of Chemistry","2013","37","6","1817","","10.1039/c3nj00031a","","","0.71073","MoKα","","0.085","0.0551","","","0.1141","0.1283","","","","","","0.969","","","","has coordinates,has disorder","301851","2025-08-21","20:32:43",""
"7053112","14.507","0.003","16.714","0.003","20.116","0.004","90","","92.21","0.03","90","","4873.9","1.7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.78 H31.11 I N O4.78 -","- C24 H28 I N O4 -","- C192 H224 I8 N8 O32 -","8","1","","Wu, Meng; Wang, Zi-Wen; Liu, Yu-Xiu; Song, Hai-Bin; Zhang, Ao; Meng, Ling-Hua; Wang, Qing-Min","Different salt derivatives of phenanthroindolizidine alkaloids display different in vitro antitumor activity","New Journal of Chemistry","2013","37","6","1817","","10.1039/c3nj00031a","","","0.71073","MoKα","","0.0702","0.0558","","","0.1257","0.1329","","","","","","1.144","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053113","7.2916","0.0003","13.7926","0.0005","14.493","0.0006","78.306","0.002","82.839","0.002","80.576","0.002","1401.72","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br2 N6 O6 -","- C26 H28 Br2 N6 O6 -","- C52 H56 Br4 N12 O12 -","2","1","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.077","0.0444","","","0.1297","0.1513","","","","","","0.962","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053114","7.0527","0.0012","13.808","0.002","14.472","0.002","78.038","0.005","83.616","0.005","81.133","0.005","1357.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 N6 O6 -","- C26 H28 Cl2 N6 O6 -","- C52 H56 Cl4 N12 O12 -","2","1","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.1116","0.0647","","","0.1609","0.1907","","","","","","0.962","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053115","8.5912","0.0004","12.595","0.0006","14.3918","0.0007","90","","106.76","0.002","90","","1491.13","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N6 O14 S2 -","- C26 H30 N6 O14 S2 -","- C52 H60 N12 O28 S4 -","2","0.5","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.0962","0.0875","","","0.2195","0.2258","","","","","","0.908","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053116","6.691","0.003","13.879","0.006","17.851","0.007","90","","109.63","0.02","90","","1561.4","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N6 O12 S2 -","- C28 H30 N6 O12 S2 -","- C56 H60 N12 O24 S4 -","2","0.5","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.0831","0.0554","","","0.1545","0.1746","","","","","","0.998","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053117","6.9112","0.0009","9.5788","0.0011","20.126","0.002","90","","94.476","0.008","90","","1328.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N8 O10 -","- C26 H24 N8 O10 -","- C52 H48 N16 O20 -","2","0.5","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.0754","0.0528","","","0.1699","0.2139","","","","","","1.166","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053118","19.277","0.006","9.226","0.003","34.761","0.01","90","","116.698","0.019","90","","5523","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H102 F24 N24 O19 Si4 -","- C104 H96 F24 N24 O19 Si4 -","- C208 H192 F48 N48 O38 Si8 -","2","0.5","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.1156","0.0817","","","0.1765","0.246","","","","","","1.116","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053119","9.5472","0.0005","24.1664","0.001","12.7016","0.0005","90","","101.922","0.002","90","","2867.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl2 N6 O12 -","- C26 H24 Cl2 N6 O12 -","- C104 H96 Cl8 N24 O48 -","4","1","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.147","0.0733","","","0.1829","0.2229","","","","","","1.031","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053120","7.5861","0.0004","10.2212","0.0006","18.4816","0.0014","100.062","0.006","98.722","0.005","106.368","0.005","1322.86","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N6 O9 P -","- C26 H27 N6 O9 P -","- C52 H54 N12 O18 P2 -","2","1","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.0807","0.0572","","","0.1385","0.1555","","","","","","1","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053121","13.7661","0.0005","24.6948","0.0011","8.3773","0.001","90","","105.686","0.005","90","","2741.8","0.4","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H26 Ce N O10 -","- C27 H26 Ce N O10 -","- C108 H104 Ce4 N4 O40 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Metal‒organic coordination polymers with a new 3,5-(4-carboxybenzyloxy) benzoic acid linker","New Journal of Chemistry","2013","37","5","1494","","10.1039/c3nj00054k","","","0.71073","MoKα","","0.0429","0.0344","","","0.0821","0.0856","","","","","","1.092","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053122","13.6593","0.0004","24.5441","0.0011","8.4234","0.0003","90","","105.445","0.003","90","","2722","0.18","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H26 N Nd O10 -","- C27 H26 N Nd O10 -","- C108 H104 N4 Nd4 O40 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Metal‒organic coordination polymers with a new 3,5-(4-carboxybenzyloxy) benzoic acid linker","New Journal of Chemistry","2013","37","5","1494","","10.1039/c3nj00054k","","","0.71073","MoKα","","0.0525","0.0403","","","0.0946","0.1005","","","","","","1.066","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053123","17.8091","0.0004","25.5978","0.0007","5.7377","0.0002","90","","98.1557","0.0012","90","","2589.21","0.13","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Cu2 O9 -","- C23 H15 Cu2 O9 -","- C92 H60 Cu8 O36 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Metal‒organic coordination polymers with a new 3,5-(4-carboxybenzyloxy) benzoic acid linker","New Journal of Chemistry","2013","37","5","1494","","10.1039/c3nj00054k","","","0.71073","MoKα","","0.0474","0.0401","","","0.1101","0.1142","","","","","","1.045","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053124","15.3997","0.0009","15.4635","0.0009","17.2247","0.001","93.145","0.003","114.157","0.002","100.775","0.003","3636.9","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H90 Cd2 N8 O20 -","- C60 H54 Cd2 N4 O16 -","- C120 H108 Cd4 N8 O32 -","2","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Metal‒organic coordination polymers with a new 3,5-(4-carboxybenzyloxy) benzoic acid linker","New Journal of Chemistry","2013","37","5","1494","","10.1039/c3nj00054k","","","0.71073","MoKα","","0.098","0.0683","","","0.1499","0.16","","","","","","1.047","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053125","8.202","0.0003","14.2941","0.0006","15.4384","0.0005","75.737","0.003","88.315","0.003","75.493","0.003","1697.27","0.11","172.9","0.3","172.9","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 Cl2 F3 P3 Re -","- C33 H39 Cl2 F3 P3 Re -","- C66 H78 Cl4 F6 P6 Re2 -","2","1","","He, Guomei; Fan, Ting; Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Effects of substituents on the formation of rhenium carbyne and η2-vinyl complexes from the reactions of ReH5(PMe2Ph)3 with terminal alkynes","New Journal of Chemistry","2013","37","6","1823","","10.1039/c3nj00062a","","x-ray","1.5418","CuKα","","0.0312","0.0305","","","0.0745","0.075","","","","","","1.012","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053126","9.4371","0.0002","13.1854","0.0004","13.7827","0.0005","103.898","0.003","93.937","0.002","95.447","0.002","1649.84","0.09","173","0.14","173","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 Cl2 F3 P3 Re -","- C33 H39 Cl2 F3 P3 Re -","- C66 H78 Cl4 F6 P6 Re2 -","2","1","","He, Guomei; Fan, Ting; Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Effects of substituents on the formation of rhenium carbyne and η2-vinyl complexes from the reactions of ReH5(PMe2Ph)3 with terminal alkynes","New Journal of Chemistry","2013","37","6","1823","","10.1039/c3nj00062a","","x-ray","1.5418","CuKα","","0.0274","0.027","","","0.0699","0.0702","","","","","","1.005","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053127","10.7952","0.0003","12.6871","0.0004","13.8264","0.0004","90.643","0.003","98.261","0.002","108.65","0.003","1772.3","0.1","173","0.14","173","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C33.25 H40 Cl2 F3 O0.25 P3 Re -","- C33.25 H39 Cl2 F3 O0.25 P3 Re -","- C66.5 H78 Cl4 F6 O0.5 P6 Re2 -","2","1","","He, Guomei; Fan, Ting; Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Effects of substituents on the formation of rhenium carbyne and η2-vinyl complexes from the reactions of ReH5(PMe2Ph)3 with terminal alkynes","New Journal of Chemistry","2013","37","6","1823","","10.1039/c3nj00062a","","x-ray","1.5418","CuKα","","0.0212","0.0208","","","0.0581","0.0584","","","","","","1.013","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053128","10.619","0.003","5.43","0.002","14.639","0.005","90","","108.69","0.02","90","","799.6","0.5","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H9 N5 O2 -","- C6 H9 N5 O2 -","- C24 H36 N20 O8 -","4","1","","Boland, Yves; Safin, Damir A.; Tinant, Bernard; Babashkina, Maria G.; Marchand-Brynaert, Jacqueline; Garcia, Yann","Routes to novel mono- and bis-tetrazole compounds: synthesis, spectroscopic and structural characterization","New Journal of Chemistry","2013","37","4","1174","","10.1039/c3nj00090g","","","0.71069","MoKα","","0.0433","0.04","","","0.1205","0.1231","","","","","","1.206","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053129","12.849","0.003","5.378","0.002","16.169","0.005","90","","102.5","0.02","90","","1090.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H11 N9 O -","- C7 H11 N9 O -","- C28 H44 N36 O4 -","4","1","","Boland, Yves; Safin, Damir A.; Tinant, Bernard; Babashkina, Maria G.; Marchand-Brynaert, Jacqueline; Garcia, Yann","Routes to novel mono- and bis-tetrazole compounds: synthesis, spectroscopic and structural characterization","New Journal of Chemistry","2013","37","4","1174","","10.1039/c3nj00090g","","","0.71069","MoKα","","0.0494","0.043","","","0.1102","0.1144","","","","","","1.116","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053130","13.8832","0.0005","11.6611","0.0004","30.2445","0.0009","90","","94.113","0.001","90","","4883.8","0.3","100","2","100","2","","","","","","","synthetical product","5","P 1 21/n 1","-P 2yn","14","","(mu2-oxo)-bis(2,4-di-tert-butyl-6-[{[2-(dimethylamino)ethyl]imino}methyl]phe- nolato)-tetraoxo-di-molybdenum(VI) acetonitrile solvate (1:2)","","- C42 H72 Mo2 N6 O7 -","- C42.002 H72.003 Mo2 N6.001 O7 -","- C168.008 H288.012 Mo8 N24.004 O28 -","4","1","","Judmaier, Martina E.; Sala, Chris H.; Belaj, Ferdinand; Volpe, Manuel; Mösch-Zanetti, Nadia C.","Dimeric μ-oxo bridged molybdenum(vi) dioxo complexes as catalysts in the epoxidation of internal and terminal alkenes","New Journal of Chemistry","2013","37","7","2139","","10.1039/c3nj00115f","","","0.71073","MoKα","","0.0322","0.0268","","","0.0657","0.0686","","","","","","1.06","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053131","7.4666","0.0006","14.8332","0.0011","16.7476","0.0012","98.171","0.002","90.647","0.002","92.937","0.002","1833.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 Cl4 Mo2 N4 O7 -","- C28 H46 Cl4 Mo2 N4 O7 -","- C56 H92 Cl8 Mo4 N8 O14 -","2","1","","Judmaier, Martina E.; Sala, Chris H.; Belaj, Ferdinand; Volpe, Manuel; Mösch-Zanetti, Nadia C.","Dimeric μ-oxo bridged molybdenum(vi) dioxo complexes as catalysts in the epoxidation of internal and terminal alkenes","New Journal of Chemistry","2013","37","7","2139","","10.1039/c3nj00115f","","","0.71073","MoKα","","0.034","0.0297","","","0.0754","0.079","","","","","","1.071","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053132","8.1437","0.0017","10.197","0.002","12.09","0.003","90","","92.216","0.004","90","","1003.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N5 O2 -","- C8 H11 N5 O2 -","- C32 H44 N20 O8 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Shamshina, Julia L.; Beasley, Preston A.; McCrary, Parker D.; Kelley, Steven P.; Rogers, Robin D.","Azolium azolates from reactions of neutral azoles with 1,3-dimethyl-imidazolium-2-carboxylate, 1,2,3-trimethyl-imidazolium hydrogen carbonate, and N,N-dimethyl-pyrrolidinium hydrogen carbonate","New Journal of Chemistry","2013","37","5","1461","","10.1039/c3nj00147d","","","0.71073","MoKα","","0.0947","0.0581","","","0.1063","0.1187","","","","","","1.09","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053133","6.928","0.0013","8.2326","0.0015","10.864","0.002","74.659","0.003","74.897","0.003","68.18","0.003","545.56","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N10 O4 -","- C18 H26 N10 O4 -","- C18 H26 N10 O4 -","1","0.5","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Shamshina, Julia L.; Beasley, Preston A.; McCrary, Parker D.; Kelley, Steven P.; Rogers, Robin D.","Azolium azolates from reactions of neutral azoles with 1,3-dimethyl-imidazolium-2-carboxylate, 1,2,3-trimethyl-imidazolium hydrogen carbonate, and N,N-dimethyl-pyrrolidinium hydrogen carbonate","New Journal of Chemistry","2013","37","5","1461","","10.1039/c3nj00147d","","","0.71073","MoKα","","0.0749","0.0503","","","0.1204","0.1289","","","","","","1.102","","","","has coordinates,has disorder","301851","2025-08-21","20:32:43",""
"7053134","7.8099","0.0017","12.914","0.003","11.053","0.002","90","","97.967","0.004","90","","1104","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N6 O4 -","- C8 H10 N6 O4 -","- C32 H40 N24 O16 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Shamshina, Julia L.; Beasley, Preston A.; McCrary, Parker D.; Kelley, Steven P.; Rogers, Robin D.","Azolium azolates from reactions of neutral azoles with 1,3-dimethyl-imidazolium-2-carboxylate, 1,2,3-trimethyl-imidazolium hydrogen carbonate, and N,N-dimethyl-pyrrolidinium hydrogen carbonate","New Journal of Chemistry","2013","37","5","1461","","10.1039/c3nj00147d","","","0.71073","MoKα","","0.0769","0.0526","","","0.121","0.1318","","","","","","1.053","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053135","6.4782","0.0006","26.704","0.002","11.0823","0.001","90","","90","","90","","1917.2","0.3","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C7 H10 N6 O2 -","- C7 H10 N6 O2 -","- C56 H80 N48 O16 -","8","","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Shamshina, Julia L.; Beasley, Preston A.; McCrary, Parker D.; Kelley, Steven P.; Rogers, Robin D.","Azolium azolates from reactions of neutral azoles with 1,3-dimethyl-imidazolium-2-carboxylate, 1,2,3-trimethyl-imidazolium hydrogen carbonate, and N,N-dimethyl-pyrrolidinium hydrogen carbonate","New Journal of Chemistry","2013","37","5","1461","","10.1039/c3nj00147d","","","0.71073","MoKα","","0.0483","0.0406","","","0.1035","0.1085","","","","","","1.082","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053136","12.0028","0.0004","13.0095","0.0005","20.3429","0.0007","90","","99.216","0.001","90","","3135.55","0.19","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Fe N2 O2.5 -","- C18 H17 Fe N2 O2.5 -","- C144 H136 Fe8 N16 O20 -","8","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0374","0.0285","","","0.0778","0.0833","","","","","","1.042","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053137","13.2738","0.0004","8.4806","0.0002","14.0205","0.0004","90","","114.859","0.001","90","","1432.05","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Fe N2 O -","- C18 H14 Fe N2 O -","- C72 H56 Fe4 N8 O4 -","4","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0284","0.025","","","0.0652","0.0679","","","","","","1.044","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053138","14.1216","0.0004","8.5142","0.0002","13.7245","0.0004","90","","115.626","0.001","90","","1487.84","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Fe N2 S -","- C18 H14 Fe N2 S -","- C72 H56 Fe4 N8 S4 -","4","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0238","0.0213","","","0.0557","0.0577","","","","","","1.046","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053139","10.3361","0.0003","7.9197","0.0002","17.1157","0.0005","90","","98.984","0.001","90","","1383.88","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Fe N O2 -","- C18 H13 Fe N O2 -","- C72 H52 Fe4 N4 O8 -","4","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0287","0.024","","","0.0602","0.0624","","","","","","1.102","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053140","7.3774","0.0003","9.9499","0.0004","10.566","0.0004","87.451","0.001","79.77","0.001","74.67","0.001","736.1","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Fe N S2 -","- C18 H13 Fe N S2 -","- C36 H26 Fe2 N2 S4 -","2","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0363","0.0294","","","0.0756","0.0797","","","","","","1.037","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053141","13.1577","0.0014","8.6907","0.0009","13.8343","0.0016","90","","114.783","0.003","90","","1436.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Fe N O S -","- C18 H13 Fe N O S -","- C72 H52 Fe4 N4 O4 S4 -","4","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.056","0.0461","","","0.1182","0.1298","","","","","","1.075","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053142","16.2896","0.0004","12.4546","0.0003","16.4543","0.0004","90","","111.719","0.001","90","","3101.27","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Fe N3 O2 -","- C18 H17 Fe N3 O2 -","- C144 H136 Fe8 N24 O16 -","8","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0248","0.0224","","","0.0596","0.0612","","","","","","1.041","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053143","11.9743","0.0003","12.3974","0.0003","14.2253","0.0003","90","","92.713","0.001","90","","2109.38","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Fe N5 O2 -","- C23 H25 Fe N5 O2 -","- C92 H100 Fe4 N20 O8 -","4","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0374","0.0287","","","0.0728","0.0774","","","","","","1.026","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053144","7.0459","0.0002","11.048","0.003","15.4564","0.0004","90","","90","","90","","1203.2","0.3","120","2","120.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 N4 O4 -","- C13 H8 N4 O4 -","- C52 H32 N16 O16 -","4","1","","Alkorta, Ibon; Cossío, Fernando P.; Elguero, José; Fresno, Nieves; Hernandez-Folgado, Laura; García-Granda, Santiago; Menéndez-Taboada, Laura; Pérez-Fernández, Ruth; Reviriego, Felipe; Vázquez-Viñuela, Lucia","The reaction of NH-indazoles with 1-fluoro-2,4-dinitrobenzene: the unusual formation of benzotriazole-N-oxides","New Journal of Chemistry","2013","37","8","2384","","10.1039/c3nj00186e","","","1.5418","CuKα","","0.0383","0.0335","","","0.0768","0.0796","","","","","","1.073","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053145","7.073","0.0005","24.084","0.0016","14.3289","0.001","90","","100.633","0.007","90","","2399","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N4 O4 -","- C13 H8 N4 O4 -","- C104 H64 N32 O32 -","8","2","","Alkorta, Ibon; Cossío, Fernando P.; Elguero, José; Fresno, Nieves; Hernandez-Folgado, Laura; García-Granda, Santiago; Menéndez-Taboada, Laura; Pérez-Fernández, Ruth; Reviriego, Felipe; Vázquez-Viñuela, Lucia","The reaction of NH-indazoles with 1-fluoro-2,4-dinitrobenzene: the unusual formation of benzotriazole-N-oxides","New Journal of Chemistry","2013","37","8","2384","","10.1039/c3nj00186e","","","1.5418","CuKα","","0.0822","0.0469","","","0.0934","0.1085","","","","","","0.984","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053146","7.2107","0.0006","24.0635","0.0017","14.4077","0.0011","90","","100.334","0.017","90","","2459.4","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N4 O4 -","- C13 H8 N4 O4 -","- C104 H64 N32 O32 -","8","2","","Alkorta, Ibon; Cossío, Fernando P.; Elguero, José; Fresno, Nieves; Hernandez-Folgado, Laura; García-Granda, Santiago; Menéndez-Taboada, Laura; Pérez-Fernández, Ruth; Reviriego, Felipe; Vázquez-Viñuela, Lucia","The reaction of NH-indazoles with 1-fluoro-2,4-dinitrobenzene: the unusual formation of benzotriazole-N-oxides","New Journal of Chemistry","2013","37","8","2384","","10.1039/c3nj00186e","","","1.5418","CuKα","","0.1325","0.0599","","","0.1241","0.1709","","","","","","0.998","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053147","13.0325","0.0006","15.3958","0.0015","6.1563","0.0003","90","","99.558","0.005","90","","1218.09","0.15","293","0.2","293","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N4 O4 -","- C13 H8 N4 O4 -","- C52 H32 N16 O16 -","4","1","","Alkorta, Ibon; Cossío, Fernando P.; Elguero, José; Fresno, Nieves; Hernandez-Folgado, Laura; García-Granda, Santiago; Menéndez-Taboada, Laura; Pérez-Fernández, Ruth; Reviriego, Felipe; Vázquez-Viñuela, Lucia","The reaction of NH-indazoles with 1-fluoro-2,4-dinitrobenzene: the unusual formation of benzotriazole-N-oxides","New Journal of Chemistry","2013","37","8","2384","","10.1039/c3nj00186e","","","1.5418","CuKα","","0.0676","0.0439","","","0.1028","0.1171","","","","","","1.048","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053148","10.3941","0.0005","19.4479","0.001","19.9677","0.0009","90","","91.96","0.004","90","","4034","0.3","119.9","0.6","119.9","0.6","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H22 N3 -","- C74.012 H22 N3 -","- C296.048 H88 N12 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Structure and magnetic properties of the ionic fullerene salt (TMP+)·(C60˙−)·C6H5CN containing layers of monomeric C60˙− radical anions","New Journal of Chemistry","2013","37","8","2521","","10.1039/c3nj00189j","","","0.7107","MoKα","","0.0587","0.0451","","","0.1077","0.1178","","","","","","1.033","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053149","22.8309","0.0009","19.3871","0.0007","28.4509","0.0009","90","","105.634","0.004","90","","12127.2","0.8","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H22 N3 -","- C73.9999 H22 N3 -","- C887.999 H264 N36 -","12","3","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Structure and magnetic properties of the ionic fullerene salt (TMP+)·(C60˙−)·C6H5CN containing layers of monomeric C60˙− radical anions","New Journal of Chemistry","2013","37","8","2521","","10.1039/c3nj00189j","","","0.7107","MoKα","","0.0841","0.0587","","","0.1626","0.1767","","","","","","1.072","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053150","15.0911","0.0014","16.7006","0.0016","24.236","0.002","90","","90","","90","","6108.2","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H62 Co6 N8 O31 -","- C30 H24 Co6 N4 O22 -","- C120 H96 Co24 N16 O88 -","4","1","","Li, Zongze; Du, Lin; Zhou, Jie; Li, Lin; Hu, Yan; Qiao, Yongfeng; Xie, Mingjin; Zhao, Qihua","A chiral porous cobalt‒organic framework based on reinforced sinusoidal-like SBUs involving in situ-generated formate","New Journal of Chemistry","2013","37","8","2473","","10.1039/c3nj00236e","","","0.71073","MoKα","","0.0763","0.0481","","","0.0721","0.078","","","","","","0.933","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053151","6.307","0.001","12.611","0.002","10.4919","0.0017","90","","91.227","0.002","90","","834.3","0.2","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C15 H15 Co N3 O5 -","- C15 H15 Co N3 O5 -","- C30 H30 Co2 N6 O10 -","2","1","","Li, Zongze; Du, Lin; Zhou, Jie; Li, Lin; Hu, Yan; Qiao, Yongfeng; Xie, Mingjin; Zhao, Qihua","A chiral porous cobalt‒organic framework based on reinforced sinusoidal-like SBUs involving in situ-generated formate","New Journal of Chemistry","2013","37","8","2473","","10.1039/c3nj00236e","","","0.71073","MoKα","","0.0601","0.0514","","","0.1363","0.1419","","","","","","1.013","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053152","11.7071","0.0002","15.649","0.0003","15.7529","0.0011","90","","99.715","0.007","90","","2844.6","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl N2 Ni O2 -","- C34 H31 Cl N2 Ni O2 -","- C136 H124 Cl4 N8 Ni4 O8 -","4","1","","Luca, Oana R.; Huang, Daria L.; Takase, Michael K.; Crabtree, Robert H.","Redox-active cyclopentadienyl Ni complexes with quinoid N-heterocyclic carbene ligands for the electrocatalytic hydrogen release from chemical fuels","New Journal of Chemistry","2013","37","11","3402","","10.1039/c3nj00276d","","","1.54187","CuKα","","0.0732","0.0603","","","0.1592","0.1732","","","","","","1.136","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053153","8.0943","0.0004","8.7229","0.0004","10.6687","0.0005","99.129","0.003","90.439","0.003","114.943","0.002","672.02","0.06","296","2","296","2","","","","","","","","2","P -1","-P 1","2","4,4'-dipyrenyl-biphenyl ?","","","- C44 H26 -","- C44 H26 -","- C44 H26 -","1","0.5","","Kwon, Jongchul; Hong, Jung-Pyo; Lee, Seonghoon; Hong, Jong-In","4,4′-Di(pyren-1-yl)-1,1′-biphenyl as an efficient material for organic light-emitting diodes and thin-film transistors","New Journal of Chemistry","2013","37","9","2881","","10.1039/c3nj00295k","","","0.71073","MoKα","","0.0849","0.0753","","","0.1927","0.2041","","","","","","1.014","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053154","7.7658","0.0002","10.8456","0.0003","27.334","0.0008","90","","93.128","0.001","90","","2298.77","0.11","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl F6 N3 P Rh S -","- C20 H22 Cl F6 N3 P Rh S -","- C80 H88 Cl4 F24 N12 P4 Rh4 S4 -","4","1","","Gupta, Gajendra; Sharma, Gunjan; Koch, Biplob; Park, Sunhong; Lee, Shim Sung; Kim, Jinkwon","Syntheses, characterization and molecular structures of novel Ru(ii), Rh(iii) and Ir(iii) complexes and their possible roles as antitumour and cytotoxic agents","New Journal of Chemistry","2013","37","8","2573","","10.1039/c3nj00315a","","","0.71073","MoKα","","0.0348","0.0307","","","0.0806","0.083","","","","","","1.056","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053155","8.879","0.0003","12.4284","0.0004","12.9718","0.0004","86.465","0.002","79.783","0.002","88.566","0.002","1405.94","0.08","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H27 Cl3 F6 N5 O0 P Rh -","- C23 H27 Cl3 F6 N5 P Rh -","- C46 H54 Cl6 F12 N10 P2 Rh2 -","2","1","","Gupta, Gajendra; Sharma, Gunjan; Koch, Biplob; Park, Sunhong; Lee, Shim Sung; Kim, Jinkwon","Syntheses, characterization and molecular structures of novel Ru(ii), Rh(iii) and Ir(iii) complexes and their possible roles as antitumour and cytotoxic agents","New Journal of Chemistry","2013","37","8","2573","","10.1039/c3nj00315a","","","0.71073","MoKα","","0.0514","0.0474","","","0.1376","0.1423","","","","","","1.083","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053156","8.3861","0.0004","18.9328","0.0009","11.7032","0.0006","90","","95.681","0.002","90","","1849.02","0.16","172","2","172","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl F6 N3 P Ru S -","- C16 H13 Cl F6 N3 P Ru S -","- C64 H52 Cl4 F24 N12 P4 Ru4 S4 -","4","1","","Gupta, Gajendra; Sharma, Gunjan; Koch, Biplob; Park, Sunhong; Lee, Shim Sung; Kim, Jinkwon","Syntheses, characterization and molecular structures of novel Ru(ii), Rh(iii) and Ir(iii) complexes and their possible roles as antitumour and cytotoxic agents","New Journal of Chemistry","2013","37","8","2573","","10.1039/c3nj00315a","","","0.71073","MoKα","","0.0386","0.0326","","","0.0752","0.0786","","","","","","1.044","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053157","7.668","0.005","8.251","0.005","8.861","0.005","111.221","0.007","93.978","0.008","108.043","0.007","486.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu2 N8 S4 -","- C14 H16 Cu2 N8 S4 -","- C14 H16 Cu2 N8 S4 -","1","0.5","","Gil-García, Rubén; Fraile, Roberto; Donnadieu, Bruno; Madariaga, Gotzon; Januskaitis, Vaidas; Rovira, Jordi; González, Lucía; Borrás, Joaquín; Arnáiz, Francisco Javier; García-Tojal, Javier","Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media","New Journal of Chemistry","2013","37","11","3568","","10.1039/c3nj00321c","","","0.71073","MoKα","","0.0818","0.0554","","","","0.1347","","","","","","1.039","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053158","10.968","0.004","16.018","0.006","9.462","0.003","90","","110.91","0.03","90","","1552.9","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl2 Cu3 N10 O4 S2 -","- C26 H22 Cl2 Cu3 N10 O4 S2 -","- C52 H44 Cl4 Cu6 N20 O8 S4 -","2","0.5","","Gil-García, Rubén; Fraile, Roberto; Donnadieu, Bruno; Madariaga, Gotzon; Januskaitis, Vaidas; Rovira, Jordi; González, Lucía; Borrás, Joaquín; Arnáiz, Francisco Javier; García-Tojal, Javier","Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media","New Journal of Chemistry","2013","37","11","3568","","10.1039/c3nj00321c","","","0.71073","MoKα","","0.2246","0.0463","","","","0.1087","","","","","","0.669","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053159","11.663","0.003","28.967","0.009","11.259","0.004","90","","109.92","0.02","90","","3576","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 Cu N5 O5 S -","- C13 H17 Cu N5 O5 S -","- C104 H136 Cu8 N40 O40 S8 -","8","1","","Gil-García, Rubén; Fraile, Roberto; Donnadieu, Bruno; Madariaga, Gotzon; Januskaitis, Vaidas; Rovira, Jordi; González, Lucía; Borrás, Joaquín; Arnáiz, Francisco Javier; García-Tojal, Javier","Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media","New Journal of Chemistry","2013","37","11","3568","","10.1039/c3nj00321c","","","0.71069","MoKα","","0.3381","0.0589","","","","0.1494","","","","","","0.572","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053160","10.133","0.009","20.184","0.007","13.385","0.006","90","","105.16","0.08","90","","2642","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cu N6 O3 S2 -","- C8 H8 Cu N6 O3 S2 -","- C64 H64 Cu8 N48 O24 S16 -","8","2","","Gil-García, Rubén; Fraile, Roberto; Donnadieu, Bruno; Madariaga, Gotzon; Januskaitis, Vaidas; Rovira, Jordi; González, Lucía; Borrás, Joaquín; Arnáiz, Francisco Javier; García-Tojal, Javier","Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media","New Journal of Chemistry","2013","37","11","3568","","10.1039/c3nj00321c","","","0.71069","MoKα","","0.3127","0.0466","","","","0.1184","","","","","","0.581","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053161","10.164","0.002","20.143","0.008","13.375","0.004","90","","105.39","0.03","90","","2640.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15.72 H16 Cu2 N12 O6.83 S3.72 -","- C15.722 H16 Cu2 N12 O6.834 S3.722 -","- C62.888 H64 Cu8 N48 O27.336 S14.888 -","4","1","","Gil-García, Rubén; Fraile, Roberto; Donnadieu, Bruno; Madariaga, Gotzon; Januskaitis, Vaidas; Rovira, Jordi; González, Lucía; Borrás, Joaquín; Arnáiz, Francisco Javier; García-Tojal, Javier","Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media","New Journal of Chemistry","2013","37","11","3568","","10.1039/c3nj00321c","","","0.71069","MoKα","","0.123","0.0352","","","","0.0715","","","","","","0.745","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053162","6.0132","0.0013","14.588","0.004","22.279","0.005","90","","95.358","0.005","90","","1945.8","0.8","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Fe N O3 -","- C21 H28 Fe N O3 -","- C84 H112 Fe4 N4 O12 -","4","1","","Nakatsuji, Shin'ichi; Fujiwara, Kazuya; Akutsu, Hiroki; Yamada, Jun-ichi; Satoh, Masaharu","Structures and properties of ferrocene derivatives with different kinds of nitroxide radicals","New Journal of Chemistry","2013","37","8","2468","","10.1039/c3nj00343d","","","0.71075","MoKα","","","0.0636","","","","0.1962","","","","","","1.08","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053163","10.761","0.0007","11.9388","0.0015","15.1774","0.0003","90","","105.66","0.0005","90","","1877.5","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Fe N O3 -","- C20 H26 Fe N O3 -","- C80 H104 Fe4 N4 O12 -","4","1","","Nakatsuji, Shin'ichi; Fujiwara, Kazuya; Akutsu, Hiroki; Yamada, Jun-ichi; Satoh, Masaharu","Structures and properties of ferrocene derivatives with different kinds of nitroxide radicals","New Journal of Chemistry","2013","37","8","2468","","10.1039/c3nj00343d","","","0.71069","MoKα","","","0.0639","","","","0.1715","","","","","","1.102","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053164","21.162","0.006","8.427","0.003","10.717","0.003","90","","91.718","0.007","90","","1910.3","1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Fe N O3 -","- C20 H24 Fe N O3 -","- C80 H96 Fe4 N4 O12 -","4","1","","Nakatsuji, Shin'ichi; Fujiwara, Kazuya; Akutsu, Hiroki; Yamada, Jun-ichi; Satoh, Masaharu","Structures and properties of ferrocene derivatives with different kinds of nitroxide radicals","New Journal of Chemistry","2013","37","8","2468","","10.1039/c3nj00343d","","","0.71075","MoKα","","","0.0548","","","","0.1857","","","","","","0.962","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053165","11.6","0.0002","16.6558","0.0003","35.0297","0.0007","90","","90","","90","","6768","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H100 Cu3 N6 O23 -","- C54 H78 Cu3 N6 O23 -","- C216 H312 Cu12 N24 O92 -","4","1","","Tanaka, Koichi; Asakura, Azusa; Muraoka, Toshihide; Kalicki, Przemysław; Urbanczyk-Lipkowska, Zofia","Asymmetric direct aldol reactions catalyzed by chiral amine macrocycle‒metal(ii) complexes under solvent-free conditions","New Journal of Chemistry","2013","37","9","2851","","10.1039/c3nj00361b","","","0.7107","MoKα","","0.0632","0.0561","","","0.153","0.1607","","","","","","1.162","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053166","8.0751","0.0003","25.4734","0.0008","14.7742","0.0005","90","","111.606","0.003","90","","2825.53","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Cl N4 O2 Ru -","- C31 H31 Cl N4 O2 Ru -","- C124 H124 Cl4 N16 O8 Ru4 -","4","1","","Garza-Ortiz, Ariadna; Uma Maheswari, Palanisamy; Siegler, Maxime; Spek, Anthony L.; Reedijk, Jan","A new family of Ru(ii) complexes with a tridentate pyridine Schiff-base ligand and bidentate co-ligands: synthesis, characterization, structure and in vitro cytotoxicity studies","New Journal of Chemistry","2013","37","11","3450","","10.1039/c3nj00415e","","","0.71073","MoKα","","0.0342","0.0229","","","0.0498","0.0539","","","","","","1.039","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053167","12.7069","0.0013","11.0731","0.0008","20.3584","0.0016","90","","101.572","0.005","90","","2806.3","0.4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N Ru -","- C15 H23 N Ru -","- C120 H184 N8 Ru8 -","8","1","","Hirano, Masafumi; Inoue, Haruka; Okamoto, Takuya; Ueda, Takao; Komine, Nobuyuki; Komiya, Sanshiro; Wang, Xian-qi; Bennett, Martin A.","Cross-dimerisation between different cisoid- and transoid-1,3-dienes at a ruthenium(0) centre","New Journal of Chemistry","2013","37","11","3433","","10.1039/c3nj00429e","","","0.71075","MoKα","","","0.1056","","","","0.2931","","","","","","1.29","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053168","8.852","0.006","14.382","0.009","24.096","0.014","90","","90","","90","","3068","3","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H28 Ru -","- C18 H28 Ru -","- C144 H224 Ru8 -","8","1","","Hirano, Masafumi; Inoue, Haruka; Okamoto, Takuya; Ueda, Takao; Komine, Nobuyuki; Komiya, Sanshiro; Wang, Xian-qi; Bennett, Martin A.","Cross-dimerisation between different cisoid- and transoid-1,3-dienes at a ruthenium(0) centre","New Journal of Chemistry","2013","37","11","3433","","10.1039/c3nj00429e","","","0.71075","MoKa","","","0.0353","","","","0.0849","","","","","","1.066","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053169","5.6471","0.0007","20.606","0.004","9.0626","0.0013","90","","103.672","0.012","90","","1024.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 N O2 -","- C8 H19 N O2 -","- C32 H76 N4 O8 -","4","1","","McCrary, Parker D.; Beasley, Preston A.; Gurau, Gabriela; Narita, Asako; Barber, Patrick S.; Cojocaru, O. Andreea; Rogers, Robin D.","Drug specific, tuning of an ionic liquid's hydrophilic–lipophilic balance to improve water solubility of poorly soluble active pharmaceutical ingredients","New Journal of Chemistry","2013","37","7","2196","","10.1039/c3nj00454f","","","0.71073","MoKα","","0.122","0.0552","","","0.1237","0.1483","","","","","","0.996","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053170","5.4838","0.0008","26.117","0.004","8.228","0.0012","90","","100.331","0.005","90","","1159.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H23 N O2 -","- C10 H23 N O2 -","- C40 H92 N4 O8 -","4","1","","McCrary, Parker D.; Beasley, Preston A.; Gurau, Gabriela; Narita, Asako; Barber, Patrick S.; Cojocaru, O. Andreea; Rogers, Robin D.","Drug specific, tuning of an ionic liquid's hydrophilic–lipophilic balance to improve water solubility of poorly soluble active pharmaceutical ingredients","New Journal of Chemistry","2013","37","7","2196","","10.1039/c3nj00454f","","","0.71073","MoKα","","0.0614","0.0406","","","0.1108","0.1276","","","","","","1.014","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053171","13.2365","0.0013","19.4764","0.0019","17.2337","0.0015","90","","94.607","0.011","90","","4428.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl3 F9 Ru2 S3 -","- C42 H42 Cl3 F9 Ru2 S3 -","- C168 H168 Cl12 F36 Ru8 S12 -","4","1","","Giannini, Federico; Paul, Lydia E. H.; Furrer, Julien; Therrien, Bruno; Süss-Fink, Georg","Highly cytotoxic diruthenium trithiolato complexes of the type [(η6-p-MeC6H4Pri)2Ru2(μ2-SR)3]+: synthesis, characterization, molecular structure and in vitro anticancer activity","New Journal of Chemistry","2013","37","11","3503","","10.1039/c3nj00476g","","","0.71073","MoKα","","0.0911","0.0472","","","0.1129","0.1255","","","","","","0.844","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053172","13.2082","0.0005","13.1769","0.0004","28.5766","0.0009","90","","92.029","0.003","90","","4970.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 Cl13 Ru2 S3 -","- C40 H39 Cl13 Ru2 S3 -","- C160 H156 Cl52 Ru8 S12 -","4","1","","Giannini, Federico; Paul, Lydia E. H.; Furrer, Julien; Therrien, Bruno; Süss-Fink, Georg","Highly cytotoxic diruthenium trithiolato complexes of the type [(η6-p-MeC6H4Pri)2Ru2(μ2-SR)3]+: synthesis, characterization, molecular structure and in vitro anticancer activity","New Journal of Chemistry","2013","37","11","3503","","10.1039/c3nj00476g","","","0.71073","MoKα","","0.1153","0.0699","","","0.0898","0.0991","","","","","","1.096","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053173","15.53","0.005","16.537","0.006","11.752","0.005","90","","123.003","0.001","90","","2531.1","1.6","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 N12 O16 Zr -","- C12 H24 N12 O16 Zr -","- C48 H96 N48 O64 Zr4 -","4","0.5","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.0308","0.0255","","0.035","0.0286","0.0281","","","","","","1.0601","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053174","37.6265","0.0011","7.2895","0.0002","12.4055","0.0004","90","","90","","90","","3402.56","0.18","180","","180","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H34 N12 O21 Zr -","- C20 H34 N12 O21 Zr -","- C80 H136 N48 O84 Zr4 -","4","1","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.0376","0.0296","","0.0346","0.0316","0.0309","","","","","","1.0823","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053175","10.6469","0.0003","10.67004","0.00017","17.8637","0.0003","84.199","0.0013","75.9687","0.0018","60.221","0.002","1708.38","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H41 N12 O16.5 Zr -","- C20 H40 N12 O16.5 Zr -","- C40 H80 N24 O33 Zr2 -","2","1","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.1183","0.1146","","0.119","0.1164","0.1159","","","","","","0.9494","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053176","22.437","0.008","24.63","0.007","14.141","0.008","90","","90","","90","","7815","6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H35 N12 O17.5 Zr -","- C28 H32 N12 O17.5 Zr -","- C224 H256 N96 O140 Zr8 -","8","1","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.1502","0.1099","","","0.3252","0.3678","","","","","","1.409","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053177","15.6524","0.0004","17.6491","0.0004","19.7828","0.0005","96.198","0.001","101.315","0.001","115.121","0.001","4738","0.2","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H35.7 Cl8 N12 O21.85 Zr -","- C28 H24 Cl8 N12 O21.85 Zr -","- C112 H96 Cl32 N48 O87.4 Zr4 -","4","2","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.1148","0.0604","","0.1116","0.0606","0.0565","","","","","","1.0744","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053178","17.4105","0.0004","20.2998","0.0005","13.9896","0.0004","90","","111.033","0.003","90","","4614.9","0.2","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl8 N12 O17 Zr -","- C36 H26 Cl8 N12 O17 Zr -","- C144 H104 Cl32 N48 O68 Zr4 -","4","1","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.0534","0.0258","","0.0369","0.0273","0.0255","","","","","","1.1048","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053179","10.3719","0.0007","21.7887","0.0015","17.3292","0.0012","90","","90","","90","","3916.2","0.5","180","","180","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H36 K2 N6 O20 Zr -","- C30 H32 K2 N6 O20 Zr -","- C120 H128 K8 N24 O80 Zr4 -","4","0.5","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.0732","0.0478","","0.0723","0.0544","0.053","","","","","","1.0525","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053180","8.7","0.0017","11.397","0.002","14.164","0.003","90","","92.5","0.03","90","","1403.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H3 N7 O10 -","- C9 H3 N7 O10 -","- C36 H12 N28 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.0766","0.0508","","","0.1398","0.1583","","","","","","1.004","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053181","9.083","0.0018","11.395","0.002","14.089","0.003","90","","99.23","0.03","90","","1439.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 N9 O10 -","- C9 H5 N9 O10 -","- C36 H20 N36 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.0871","0.0505","","","0.1081","0.1217","","","","","","1.001","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053182","8.237","0.0016","12.791","0.003","12.916","0.003","90","","90","","90","","1360.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H3 N7 O10 -","- C9 H3 N7 O10 -","- C36 H12 N28 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.0808","0.0608","","","0.1465","0.1594","","","","","","1.002","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053183","8.4941","0.0007","12.7651","0.001","13.3699","0.0012","90","","90","","90","","1449.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H4 N8 O10 -","- C9 H4 N8 O10 -","- C36 H16 N32 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.1468","0.078","","","0.1453","0.1809","","","","","","1.044","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053184","9.158","0.0018","12.318","0.003","12.862","0.003","90","","90","","90","","1450.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 N9 O10 -","- C9 H5 N9 O10 -","- C36 H20 N36 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.0823","0.0535","","","0.1381","0.1575","","","","","","1.003","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053185","17.2568","0.0006","29.2556","0.0013","15.1819","0.0005","90","","100.457","0.003","90","","7537.4","0.5","180","2","180","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H59 F18 N10 O2 P5 Ru2 -","- C74 H59 F18 N10 O2 P5 Ru2 -","- C296 H236 F72 N40 O8 P20 Ru8 -","4","0.5","","Sylvain, Rémy; Vendier, Laure; Bijani, Christian; Santoro, Antonio; Puntoriero, Fausto; Campagna, Sebastiano; Sutra, Pierre; Igau, Alain","Evidence of the unprecedented conversion of intermolecular proton to water bridging of two phosphoryl ruthenium complexes","New Journal of Chemistry","2013","37","11","3543","","10.1039/c3nj00522d","","x-ray","1.5418","CuKα","","0.0866","0.0681","","","0.19","0.2074","","","","","","1.051","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053186","28.4278","0.0006","28.4278","0.0006","17.0604","0.0004","90","","90","","90","","13787.2","0.5","100","2","100","2","","","","","","","synthesis as described","7","I 41 c d","I 4bw -2c","110","","","","- C37 H30 F6 N5 O1.5 P2 Ru -","- C37 H30 F6 N5 O1.5 P2 Ru -","- C592 H480 F96 N80 O24 P32 Ru16 -","16","1","","Sylvain, Rémy; Vendier, Laure; Bijani, Christian; Santoro, Antonio; Puntoriero, Fausto; Campagna, Sebastiano; Sutra, Pierre; Igau, Alain","Evidence of the unprecedented conversion of intermolecular proton to water bridging of two phosphoryl ruthenium complexes","New Journal of Chemistry","2013","37","11","3543","","10.1039/c3nj00522d","","","0.71073","MoKα","","0.0195","0.0163","","","0.0349","0.036","","","","","","1.056","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053187","11.9672","0.0003","18.6128","0.0004","24.142","0.0005","90","","96.754","0.002","90","","5340.1","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Mo12 N3 O40 P -","- C27 H42 Mo12 N3 O40 P -","- C108 H168 Mo48 N12 O160 P4 -","4","1","","Guérin, Béatrice; Fernandes, Daniel Mesquita; Daran, Jean-Claude; Agustin, Dominique; Poli, Rinaldo","Investigation of induction times, activity, selectivity, interface and mass transport in solvent-free epoxidation by H2O2 and TBHP: a study with organic salts of the [PMo12O40]3− anion","New Journal of Chemistry","2013","37","11","3466","","10.1039/c3nj00523b","","","0.71073","MoKα","","0.0362","0.0311","","","0.0653","0.0676","","","","","","1.156","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053188","13.161","0.002","13.007","0.002","23.346","0.004","90","","100.685","0.002","90","","3927.2","1.1","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N16 O11 -","- C10 H10 N16 O11 -","- C80 H80 N128 O88 -","8","2","","Dong, Kai; Wang, Yuan; Gong, Xu-Bin; Zhang, Jing; Sun, Cheng-Hui; Pang, Si-Ping","Formyl azido substituted nitro hexaazaisowurtzitane – synthesis, characterization and energetic properties","New Journal of Chemistry","2013","37","11","3685","","10.1039/c3nj00532a","","","0.71073","MoKα","","0.0826","0.0694","","","0.1514","0.1614","","","","","","1.001","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053189","16.2048","0.0005","12.3116","0.0004","19.4697","0.0006","90","","90","","90","","3884.3","0.2","180","2","180","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cl2 F6 N4 O P Ru -","- C15 H11 Cl2 F6 N4 O P Ru -","- C120 H88 Cl16 F48 N32 O8 P8 Ru8 -","8","1","","Akl, Joëlle; Billot, Chelmia; Lacroix, Pascal G.; Sasaki, Isabelle; Mallet-Ladeira, Sonia; Malfant, Isabelle; Arcos-Ramos, Rafael; Romero, Margarita; Farfán, Norberto","Molecular materials for switchable nonlinear optics in the solid state, based on ruthenium-nitrosyl complexes","New Journal of Chemistry","2013","37","11","3518","","10.1039/c3nj00558e","","x-ray","0.71073","MoKα","","0.0438","0.0313","","","0.0727","0.0814","","","","","","1.064","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053190","25.538","0.0016","15.5011","0.0009","14.6239","0.0009","90","","90","","90","","5789.1","0.6","180","2","180","2","","","","","","","synthesis as described","8","P b c n","-P 2n 2ab","60","","","","- C25 H24 Cl2 F6 N5 O2 P Ru -","- C25 H24 Cl2 F6 N5 O2 P Ru -","- C200 H192 Cl16 F48 N40 O16 P8 Ru8 -","8","1","","Akl, Joëlle; Billot, Chelmia; Lacroix, Pascal G.; Sasaki, Isabelle; Mallet-Ladeira, Sonia; Malfant, Isabelle; Arcos-Ramos, Rafael; Romero, Margarita; Farfán, Norberto","Molecular materials for switchable nonlinear optics in the solid state, based on ruthenium-nitrosyl complexes","New Journal of Chemistry","2013","37","11","3518","","10.1039/c3nj00558e","","x-ray","0.71073","MoKα","","0.1029","0.0562","","","0.142","0.1741","","","","","","1.038","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053191","6.5426","0.0004","10.6326","0.0006","12.1705","0.0007","77.018","0.002","74.588","0.002","87.095","0.002","795.3","0.08","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","1","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.0624","0.0492","","","0.125","0.134","","","","","","1.038","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053192","6.5431","0.0004","10.6318","0.0006","12.1564","0.0007","76.976","0.003","74.585","0.003","86.92","0.003","794.25","0.08","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","1","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.0806","0.057","","","0.1376","0.1524","","","","","","1.01","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053193","6.6076","0.0009","10.4384","0.0016","14.81","0.002","81.361","0.004","80.936","0.005","76.921","0.005","975.6","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","1","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.1556","0.0666","","","0.1306","0.1755","","","","","","1.006","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053194","6.6001","0.0001","10.4252","0.0002","14.7935","0.0002","81.367","0.001","80.888","0.001","76.888","0.001","971.93","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","1","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.053","0.0433","","","0.0972","0.103","","","","","","0.966","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053195","34.3268","0.001","14.1957","0.0003","21.8632","0.0005","90","","112.382","0.002","90","","9851.2","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C53 H55 N7 O6 Zn -","- C50 H42 N6 O2 Zn -","- C400 H336 N48 O16 Zn8 -","8","2","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.1356","0.0721","","","0.2011","0.2225","","","","","","1.047","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053196","10.7983","0.0011","19.3351","0.0019","13.5576","0.0013","90","","96.192","0.004","90","","2814.1","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H45 Cl9 N6 O2 Zn -","- C57 H45 Cl9 N6 O2 Zn -","- C114 H90 Cl18 N12 O4 Zn2 -","2","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.1532","0.0951","","","0.263","0.308","","","","","","1.05","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053197","10.7272","0.0004","19.2135","0.0007","13.6582","0.0005","90","","95.605","0.002","90","","2801.59","0.18","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56.5 H44.5 Cl7.5 N6 O2 Zn -","- C56.5 H44.5 Cl7.5 N6 O2 Zn -","- C113 H89 Cl15 N12 O4 Zn2 -","2","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.1317","0.0883","","","0.2441","0.2842","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053198","10.9454","0.0003","17.1422","0.0006","11.7118","0.0004","90","","99.639","0.002","90","","2166.44","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H42 N6 O2 Zn -","- C54 H42 N6 O2 Zn -","- C108 H84 N12 O4 Zn2 -","2","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.0685","0.0472","","","0.1129","0.1236","","","","","","1.033","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053199","8.585","0.002","12.347","0.003","17.326","0.004","85.325","0.004","89.305","0.004","87.573","0.004","1828.7","0.7","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Cu N6 O6 S2 -","- C32 H44 Cu N6 O6 S2 -","- C64 H88 Cu2 N12 O12 S4 -","2","1","","Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Malik, Muhammad Azad; O'Brien, Paul; Wong, Wing-Tak","Semiconducting nanostructured copper sulfide thin films from bidentate copper(ii) complexes of N-(dialkylcarbamothioyl)-nitrosubstituted benzamides by chemical vapour deposition","New Journal of Chemistry","2013","37","10","3214","","10.1039/c3nj00668a","","","0.71073","MoKα","","0.074","0.0486","","","0.108","0.1185","","","","","","1.054","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053200","9.9473","0.0005","12.27","0.0008","21.0254","0.001","76.7","0.001","79.222","0.001","66.301","0.001","2273.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H49 Mo8 N7 O26 -","- C24 H49 Mo8 N7 O26 -","- C48 H98 Mo16 N14 O52 -","2","1","","Linguito, Stephen L.; Zhang, Xiao; Padmanabhan, Moothetty; Biradar, Ankush V.; Xu, Taotao; Emge, Thomas J.; Asefa, Tewodros; Li, Jing","New polyoxomolybdate compounds synthesized in situ using ionic liquid 1-butyl-3-methyl-imidazolium tetrafluoroborate as green solvent","New Journal of Chemistry","2013","37","9","2894","","10.1039/c3nj00669g","","","0.71073","MoKα","","0.0531","0.0372","","","0.0662","0.0711","","","","","","1.007","","","","has coordinates,has disorder","301851","2025-08-21","20:32:43",""
"7053201","13.159","0.003","16.952","0.003","14.383","0.003","90","","91.45","0.03","90","","3207.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H60 Mo12 N8 O40 P -","- C32 H60 Mo12 N8 O40 P -","- C64 H120 Mo24 N16 O80 P2 -","2","0.5","","Linguito, Stephen L.; Zhang, Xiao; Padmanabhan, Moothetty; Biradar, Ankush V.; Xu, Taotao; Emge, Thomas J.; Asefa, Tewodros; Li, Jing","New polyoxomolybdate compounds synthesized in situ using ionic liquid 1-butyl-3-methyl-imidazolium tetrafluoroborate as green solvent","New Journal of Chemistry","2013","37","9","2894","","10.1039/c3nj00669g","","","0.71073","MoKα","","0.038","0.0292","","","0.0688","0.0724","","","","","","1.024","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053202","12.8716","0.0006","21.1033","0.0009","21.6102","0.001","96.282","0.001","105.243","0.001","100.756","0.001","5485.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H45 Mo12 N6 O40 P -","- C24 H45 Mo12 N6 O40 P -","- C96 H180 Mo48 N24 O160 P4 -","4","2","","Linguito, Stephen L.; Zhang, Xiao; Padmanabhan, Moothetty; Biradar, Ankush V.; Xu, Taotao; Emge, Thomas J.; Asefa, Tewodros; Li, Jing","New polyoxomolybdate compounds synthesized in situ using ionic liquid 1-butyl-3-methyl-imidazolium tetrafluoroborate as green solvent","New Journal of Chemistry","2013","37","9","2894","","10.1039/c3nj00669g","","","0.71073","MoKα","","0.0939","0.0573","","","0.1079","0.1208","","","","","","0.998","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053203","38.757","0.002","38.757","0.002","38.757","0.002","90","","90","","90","","58217","5","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C5.5 H3 Co0.58 N0 O2.67 -","- C5.5 H3 Co0.583333 O2.66667 -","- C1056 H576 Co112 O512 -","192","1","","Li, Liangjun; Tang, Sifu; Lv, Xiaoxia; Jiang, Min; Wang, Chao; Zhao, Xuebo","An rht type metal‒organic framework based on small cubicuboctahedron supermolecular building blocks and its gas adsorption properties","New Journal of Chemistry","2013","37","11","3662","","10.1039/c3nj00700f","","","0.71073","MoKα","","0.1425","0.0869","","","0.2597","0.2756","","","","","","1.505","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053204","9.4378","0.0019","13.969","0.003","17.639","0.004","91.92","0.004","103.279","0.003","99.284","0.003","2227.6","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H48 Ag2 F6 N16 O6 S2 -","- C36 H48 Ag2 F6 N16 O6 S2 -","- C72 H96 Ag4 F12 N32 O12 S4 -","2","1","","Pilar Carranza, M.; Manzano, Blanca R.; Jalón, Félix A.; Rodríguez, Ana M.; Santos, Lucía; Moreno, Miquel","Experimental and theoretical evidence of unsupported Ag–Ag interactions in complexes with triazine-based ligands. Subtle effects of the symmetry of the triazine substituents","New Journal of Chemistry","2013","37","10","3183","","10.1039/c3nj00738c","","","0.71073","MoKα","","0.0492","0.032","","","0.0727","0.0778","","","","","","1.033","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053205","8.9492","0.0006","13.8345","0.0009","16.1715","0.0011","90","","101.784","0.001","90","","1960","0.2","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Ag2 F6 N14 O8 S2 -","- C30 H34 Ag2 F6 N14 O8 S2 -","- C60 H68 Ag4 F12 N28 O16 S4 -","2","0.5","","Pilar Carranza, M.; Manzano, Blanca R.; Jalón, Félix A.; Rodríguez, Ana M.; Santos, Lucía; Moreno, Miquel","Experimental and theoretical evidence of unsupported Ag–Ag interactions in complexes with triazine-based ligands. Subtle effects of the symmetry of the triazine substituents","New Journal of Chemistry","2013","37","10","3183","","10.1039/c3nj00738c","","","0.71073","MoKα","","0.0508","0.0331","","","0.0734","0.0817","","","","","","1.067","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053206","10.453","0.005","11.248","0.005","11.848","0.005","104.288","0.007","98.792","0.004","114.28","0.004","1178.4","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 Dy2 N4 O14 -","- C46 H60 Dy2 N4 O14 -","- C46 H60 Dy2 N4 O14 -","1","0.5","","Mei, Xuelan; Wang, Xiufeng; Wang, Juanjuan; Ma, Yue; Li, Licun; Liao, Daizheng","Dinuclear lanthanide complexes bridged by nitronyl nitroxide radical ligands with 2-phenolate groups: structure and magnetic properties","New Journal of Chemistry","2013","37","11","3620","","10.1039/c3nj00739a","","","0.71073","MoKα","","0.0422","0.0378","","","0.0638","0.0657","","","","","","1.062","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053207","10.509","0.004","11.349","0.005","11.813","0.004","103.788","0.004","98.622","0.004","114.832","0.003","1190.8","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 Eu2 N4 O14 -","- C46 H60 Eu2 N4 O14 -","- C46 H60 Eu2 N4 O14 -","1","0.5","","Mei, Xuelan; Wang, Xiufeng; Wang, Juanjuan; Ma, Yue; Li, Licun; Liao, Daizheng","Dinuclear lanthanide complexes bridged by nitronyl nitroxide radical ligands with 2-phenolate groups: structure and magnetic properties","New Journal of Chemistry","2013","37","11","3620","","10.1039/c3nj00739a","","","0.71073","MoKα","","0.0492","0.0402","","","0.0737","0.0769","","","","","","1.059","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053208","10.484","0.006","11.287","0.007","11.799","0.007","103.69","0.004","98.754","0.003","114.763","0.006","1180.8","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 Gd2 N4 O14 -","- C46 H60 Gd2 N4 O14 -","- C46 H60 Gd2 N4 O14 -","1","0.5","","Mei, Xuelan; Wang, Xiufeng; Wang, Juanjuan; Ma, Yue; Li, Licun; Liao, Daizheng","Dinuclear lanthanide complexes bridged by nitronyl nitroxide radical ligands with 2-phenolate groups: structure and magnetic properties","New Journal of Chemistry","2013","37","11","3620","","10.1039/c3nj00739a","","","0.71073","MoKα","","0.0471","0.041","","","0.0765","0.0794","","","","","","1.001","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053209","29.363","0.005","9.591","0.005","15.551","0.005","90","0.005","119.839","0.005","90","0.005","3799","2","293","2","293","2","","","","","","","Synthesized by the authors","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28.71 Cl3.29 N4 O8 -","- C38 H28.704 Cl3.296 N4 O8 -","- C152 H114.816 Cl13.184 N16 O32 -","4","0.5","","Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah","Copper(ii) ionic liquid catalyzed cyclization‒aromatization of hydrazones with dimethyl acetylenedicarboxylate: a green synthesis of fully substituted pyrazoles","New Journal of Chemistry","2013","37","7","2037","","10.1039/c3nj40756j","","","0.71069","MoKα","","0.2934","0.0578","","","0.1605","0.2158","","","","","","0.644","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053210","12.0842","0.0018","14.63","0.002","14.997","0.002","68.239","0.007","88.188","0.007","76.637","0.007","2391.4","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H46 F12 N7 O8 P2 Zn -","- C42 H42 F12 N7 O8 P2 Zn -","- C84 H84 F24 N14 O16 P4 Zn2 -","2","1","","Yadav, Yogesh J.; Mastropietro, Teresa F.; Szerb, Elisabeta Ildyko; Talarico, Anna Maria; Pirillo, Sante; Pucci, Daniela; Crispini, Alessandra; Ghedini, Mauro","2,2′-Bipyridine Zn(ii) complexes: effect of the 4,4′ substituents on the crystalline solid state properties","New Journal of Chemistry","2013","37","5","1486","","10.1039/c3nj40829a","","","0.71073","MoKα","","0.1177","0.0873","","","0.266","0.3031","","","","","","1.186","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053211","11.354","0.003","13.202","0.004","15.056","0.005","76.794","0.013","76.652","0.013","83.772","0.013","2134.1","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 F12 N6 O6 P2 Zn -","- C36 H36 F12 N6 O6 P2 Zn -","- C72 H72 F24 N12 O12 P4 Zn2 -","2","1","","Yadav, Yogesh J.; Mastropietro, Teresa F.; Szerb, Elisabeta Ildyko; Talarico, Anna Maria; Pirillo, Sante; Pucci, Daniela; Crispini, Alessandra; Ghedini, Mauro","2,2′-Bipyridine Zn(ii) complexes: effect of the 4,4′ substituents on the crystalline solid state properties","New Journal of Chemistry","2013","37","5","1486","","10.1039/c3nj40829a","","","0.71073","MoKα","","0.048","0.0439","","","0.1111","0.1142","","","","","","1.101","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053212","7.507","0.005","12.063","0.008","16.97","0.011","90","","96.79","0.02","90","","1526","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C72 H72 N12 O12 -","6","1.5","","Yadav, Yogesh J.; Mastropietro, Teresa F.; Szerb, Elisabeta Ildyko; Talarico, Anna Maria; Pirillo, Sante; Pucci, Daniela; Crispini, Alessandra; Ghedini, Mauro","2,2′-Bipyridine Zn(ii) complexes: effect of the 4,4′ substituents on the crystalline solid state properties","New Journal of Chemistry","2013","37","5","1486","","10.1039/c3nj40829a","","","0.71073","MoKα","","0.0774","0.0485","","","0.1244","0.1437","","","","","","1.024","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053213","6.1134","0.0012","12.529","0.003","14.622","0.003","90","","92.51","0.03","90","","1118.9","0.4","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 S2 -","- C30 H20 S2 -","- C60 H40 S4 -","2","0.5","","Liu, Ying; Liu, Qida; Zhang, Xingye; Ai, Ling; Wang, Yang; Peng, Ruixiang; Ge, Ziyi","Synthesis, crystal structure, and polymerization of butterfly-shaped thieno[3,2-b]thiophene oligomers","New Journal of Chemistry","2013","37","4","1189","","10.1039/c3nj40909k","","","0.71073","MoKα","","0.0481","0.0444","","","0.1151","0.1179","","","","","","1.103","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053214","3.9007","0.0011","11.814","0.003","15.453","0.003","90","","94.644","0.014","90","","709.8","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Br2 S4 -","- C14 H6 Br2 S4 -","- C28 H12 Br4 S8 -","2","0.5","","Liu, Ying; Liu, Qida; Zhang, Xingye; Ai, Ling; Wang, Yang; Peng, Ruixiang; Ge, Ziyi","Synthesis, crystal structure, and polymerization of butterfly-shaped thieno[3,2-b]thiophene oligomers","New Journal of Chemistry","2013","37","4","1189","","10.1039/c3nj40909k","","","0.7107","MoKα","","0.0974","0.0964","","","0.2658","0.2661","","","","","","1.154","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053215","6.1799","0.0012","7.6986","0.0015","21.307","0.004","90","","97.69","0.03","90","","1004.6","0.3","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 S6 -","- C22 H12 S6 -","- C44 H24 S12 -","2","0.5","","Liu, Ying; Liu, Qida; Zhang, Xingye; Ai, Ling; Wang, Yang; Peng, Ruixiang; Ge, Ziyi","Synthesis, crystal structure, and polymerization of butterfly-shaped thieno[3,2-b]thiophene oligomers","New Journal of Chemistry","2013","37","4","1189","","10.1039/c3nj40909k","","","0.71073","MoKα","","0.129","0.1182","","","0.3378","0.3455","","","","","","1.122","","","","has coordinates,has disorder","301851","2025-08-21","20:32:43",""
"7053216","14.402","0.0002","8.9147","0.0001","18.3569","0.0012","90","","92.158","0.007","90","","2355.16","0.16","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(diethylamino)-6,6-diphenyl-6H-benzo[e]benzo[4,5]oxazolo[3,2-c] [1,3,2]oxazaborinin-7-ium-6-uide","","- C29 H27 B N2 O2 -","- C29 H27 B N2 O2 -","- C116 H108 B4 N8 O8 -","4","1","","Massue, Julien; Retailleau, Pascal; Ulrich, Gilles; Ziessel, Raymond","Synthesis of luminescent BPh2-coordinated 2-(2′-hydroxyphenyl)benzoxazole (HBO)","New Journal of Chemistry","2013","37","4","1224","","10.1039/c3nj41052h","","","1.54187","CuKα","","0.0735","0.053","","","0.1119","0.1296","","","","","","1.126","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053217","18.9987","0.0003","14.3343","0.0003","25.2809","0.0017","90","","90","","90","","6884.8","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-((4-(dibutylamino)phenyl)ethynyl)-6,6-diphenyl-6H-benzo[e]benzo[4,5] oxazolo[3,2-c][1,3,2]oxazaborinin-7-ium-6-uide","","- C41 H39 B N2 O2 -","- C41 H39 B N2 O2 -","- C328 H312 B8 N16 O16 -","8","1","","Massue, Julien; Retailleau, Pascal; Ulrich, Gilles; Ziessel, Raymond","Synthesis of luminescent BPh2-coordinated 2-(2′-hydroxyphenyl)benzoxazole (HBO)","New Journal of Chemistry","2013","37","4","1224","","10.1039/c3nj41052h","","","1.54187","CuKα","","0.098","0.0612","","","0.1641","0.2191","","","","","","1.165","","","","has coordinates,has disorder","301851","2025-08-21","20:32:43",""
"7053218","26.495","0.0019","9.2581","0.0007","16.7981","0.0012","90","","94","0.004","90","","4110.4","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H54 Fe2 N6 O10 P2 S2 -","- C31 H54 Fe2 N6 O10 P2 S2 -","- C124 H216 Fe8 N24 O40 P8 S8 -","4","1","","Gao, Shang; Guo, Hongling; Peng, Xiaojun; Zhao, Xing; Duan, Qian; Liang, Qingcheng; Jiang, Dayong","The employment of a hydrophilic tris(morpholino)phosphine ligand in diiron propane-1,3-dithiolate complexes for potentially water-soluble iron-only hydrogenase active-site mimics","New Journal of Chemistry","2013","37","5","1437","","10.1039/c3nj41058g","","","0.71073","MoKα","","0.0888","0.059","","","0.1394","0.156","","","","","","1.035","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053219","12.4884","0.0007","5.0947","0.0003","17.4942","0.001","90","","99.941","0.001","90","","1096.35","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1H-tetrazol-1-yl)acetic acid","","- C3 H4 N4 O2 -","- C3 H4 N4 O2 -","- C24 H32 N32 O16 -","8","2","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0416","0.0332","","","0.0835","0.0891","","","","","","1.032","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053220","7.592","0.0004","13.7908","0.0008","15.7389","0.0009","114.474","0.002","100.409","0.001","90.831","0.005","1467.75","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","guanidinium 1-methoxy-5-nitroiminotetrazolate","guanidinium 1-methoxy-5-nitroiminotetrazolate","","- C3 H9.66667 N9 O3.33333 -","- C3 H9.66667 N9 O3.33333 -","- C18 H58 N54 O20 -","6","3","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0598","0.0413","","","0.1192","0.1287","","","","","","1.077","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053221","17.1247","0.0006","9.7122","0.0003","13.4618","0.0008","90","","119.073","0.002","90","","1956.84","0.15","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","aminoguanidinium 1-methoxy-5-nitroiminotetrazolate","aminoguanidinium 1-methoxy-5-nitroiminotetrazolate","","- C3 H10 N10 O3 -","- C3 H10 N10 O3 -","- C24 H80 N80 O24 -","8","1","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0859","0.0411","","","0.1044","0.1241","","","","","","0.985","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053222","6.5764","0.0012","9.2377","0.0017","9.8647","0.0018","105.849","0.004","100.993","0.004","103.37","0.004","539.86","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","diaminoguanidinium 1-methoxy-5-nitroiminotetrazolate","diaminoguanidinium 1-methoxy-5-nitroiminotetrazolate","","- C3 H11 N11 O3 -","- C3 H11 N11 O3 -","- C6 H22 N22 O6 -","2","1","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.053","0.0494","","","0.156","0.16","","","","","","1.068","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053223","6.9336","0.0001","7.9708","0.0001","10.6766","0.0002","103.98","0.001","97.668","0.003","100.985","0.001","552.023","0.016","296","2","296","2","","","","","","","","4","P -1","-P 1","2","triaminoguanidinium 1-methoxy-5-nitroiminotetrazolate","triaminoguanidinium 1-methoxy-5-nitroiminotetrazolate","","- C3 H12 N12 O3 -","- C3 H12 N12 O3 -","- C6 H24 N24 O6 -","2","1","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0408","0.0333","","","0.0988","0.1032","","","","","","1.115","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053224","7.3715","0.0001","7.4426","0.0001","15.3365","0.0003","101.616","0.003","97.451","0.001","94.214","0.005","812.91","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","carbohydrazidinium 1-methoxy-5-nitroiminotetrazolate","carbohydrazidinium 1-methoxy-5-nitroiminotetrazolate","","- C5 H14 N16 O7 -","- C5 H14 N16 O7 -","- C10 H28 N32 O14 -","2","1","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0575","0.0374","","","0.0954","0.1032","","","","","","0.964","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053225","3.8294","0.0003","27.714","0.002","9.5787","0.0008","90","","97.796","0.001","90","","1007.17","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-amino-1,2,4-triazolium 1-methoxy-5-nitroiminotetrazolate","3-amino-1,2,4-triazolium 1-methoxy-5-nitroiminotetrazolate","","- C4 H8 N10 O3 -","- C4 H8 N10 O3 -","- C16 H32 N40 O12 -","4","1","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0674","0.0364","","","0.0765","0.085","","","","","","0.861","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053226","11.956","0.002","16.995","0.004","15.106","0.003","90","","100.308","0.014","90","","3019.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 F12 Fe2 O5 P2 -","- C56 H42 F12 Fe2 O5 P2 -","- C112 H84 F24 Fe4 O10 P4 -","2","0.5","","Ba, Fatou; Cabon, Nolwenn; Le Poul, Pascal; Kahlal, Samia; Saillard, Jean-Yves; Le Poul, Nicolas; Golhen, Stéphane; Caro, Bertrand; Robin-Le Guen, Françoise","Diferrocenylpyrylium salts and electron rich bispyran from oxidative coupling of ferrocenylpyran. Example of redox systems switched by proton transfer","New Journal of Chemistry","2013","37","7","2066","","10.1039/c3nj41126e","","","0.71073","MoKα","","0.238","0.1191","","","0.3143","0.3952","","","","","","1.092","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053227","14.5334","0.0006","14.2796","0.0005","15.2101","0.0005","90","","92.956","0.003","90","","3152.4","0.2","100","2","100","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C25 H57 F6 P2 Pd Sb -","- C25 H57 F6 P2 Pd Sb -","- C100 H228 F24 P8 Pd4 Sb4 -","4","1","","Walter, Marc D.; White, Peter S.; Brookhart, Maurice","Synthesis, structure and computational studies of a cationic T-shaped Pd-complex","New Journal of Chemistry","2013","37","4","1128","","10.1039/c3nj41145a","","","1.54185","CuKα","","0.0807","0.0564","","","0.1785","0.1953","","","","","","1.079","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053228","19.352","0.004","13.626","0.003","11.721","0.002","90","","107.01","0.03","90","","2955.5","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H25 N3 O4 Zn -","- C35 H25 N3 O4 Zn -","- C140 H100 N12 O16 Zn4 -","4","0.5","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.0479","0.0362","","","0.0953","0.1026","","","","","","1","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053229","20.389","0.004","13.924","0.003","12.196","0.002","90","","113.21","0.03","90","","3182.2","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 N3 O6 S2 Zn -","- C35 H29 N3 O6 S2 Zn -","- C140 H116 N12 O24 S8 Zn4 -","4","0.5","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.0518","0.0372","","","0.1126","0.1227","","","","","","1.029","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053230","11.0686","0.0007","22.0148","0.0013","12.9592","0.0009","90","","117.908","0.004","90","","2790.6","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F6 N3 O7 S2 Zn -","- C23 H17 F6 N3 O7 S2 Zn -","- C92 H68 F24 N12 O28 S8 Zn4 -","4","1","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.048","0.0371","","","0.0945","0.1046","","","","","","1.005","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053231","13.007","0.003","9.863","0.002","26.388","0.008","90","","110.93","0.03","90","","3161.9","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N3 O7 Zn -","- C36 H29 N3 O7 Zn -","- C144 H116 N12 O28 Zn4 -","4","1","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.0624","0.0408","","","0.1048","0.1224","","","","","","1.036","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053232","13.998","0.002","14.822","0.002","15.489","0.002","106.615","0.007","103.451","0.007","91.595","0.007","2979.6","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H25 N3 O6 Zn -","- C35 H25 N3 O6 Zn -","- C140 H100 N12 O24 Zn4 -","4","2","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.0759","0.0476","","","0.1144","0.1328","","","","","","1.014","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053233","16.503","0.003","17.021","0.003","10.663","0.002","90","","99.67","0.03","90","","2952.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H25 N3 O6 Zn -","- C35 H25 N3 O6 Zn -","- C140 H100 N12 O24 Zn4 -","4","0.5","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.038","0.0305","","","0.0883","0.0943","","","","","","1.024","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053234","11.543","0.002","11.5238","0.0017","15.689","0.003","90","","100.072","0.004","90","","2054.8","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Br N2 S -","- C45 H69 Br N2 S -","- C90 H138 Br2 N4 S2 -","2","1","","Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Stevenson, Paul J.; Wassell, David F.","Chiral thiouronium salts: synthesis, characterisation and application in NMR enantio-discrimination of chiral oxoanions","New Journal of Chemistry","2013","37","2","515","","10.1039/c2nj40632b","","","0.71075","Molybdenum","","0.0829","0.0535","","","0.063","0.0759","","","","","","0.87","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053235","7.525","0.0004","7.8787","0.0006","14.2239","0.0012","99.852","0.007","100.646","0.006","104.192","0.006","782.49","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","(2-imino-4-phenyl-1,3-thiazol-3-(2H)-yl)methyl phosphinate","(2-imino-4-phenyl-1,3-thiazol-3-(2H)-yl)methyl phosphinate","","- C11 H12 Cl3 N2 O2 P S -","- C11 H12 Cl3 N2 O2 P S -","- C22 H24 Cl6 N4 O4 P2 S2 -","2","1","","Betzl, Wolfgang; Hettstedt, Christina; Karaghiosoff, Konstantin","New anellated 4H-1,4,2-diazaphospholes","New Journal of Chemistry","2013","37","2","481","","10.1039/c2nj40709d","","","0.71069","MoKα","","0.0937","0.0563","","","0.1118","0.1237","","","","","","1.024","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053236","10.6264","0.0006","14.7725","0.0007","14.6357","0.001","90","","104.793","0.007","90","","2221.3","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H40 Li N3 Zn -","- C18.97 H40 Li N2.992 Zn -","- C75.88 H160 Li4 N11.968 Zn4 -","4","1","","Saßmannshausen, Jörg; Klett, Jan; Kennedy, Alan R.; Parkinson, John A.; Armstrong, David","Taming the shrew: [TMEDALi-Zn(C2H4)2L] as a model compound for anionic ethene polymerisation","New Journal of Chemistry","2013","37","2","494","","10.1039/c2nj40874k","","","1.5418","CuKα","","0.0664","0.0594","","","0.1503","0.1562","","","","","","1.054","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053237","10.3386","0.0006","10.3386","0.0006","37.798","0.002","90","","90","","90","","4040.1","0.4","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C17 H36 Li N3 Zn -","- C17 H36 Li N3 Zn -","- C136 H288 Li8 N24 Zn8 -","8","1","","Saßmannshausen, Jörg; Klett, Jan; Kennedy, Alan R.; Parkinson, John A.; Armstrong, David","Taming the shrew: [TMEDALi-Zn(C2H4)2L] as a model compound for anionic ethene polymerisation","New Journal of Chemistry","2013","37","2","494","","10.1039/c2nj40874k","","","0.71073","MoKα","","0.0706","0.0442","","","0.0837","0.0867","","","","","","0.961","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053238","8.077","0.001","9.435","0.001","12.681","0.002","70.06","0.01","80.19","0.01","67.97","0.01","841.1","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","octaaquadysprosium 5,5'-azobis[tetrazolide]","","","- C6 H32 Dy2 N30 O16 -","- C6 H32 Dy2 N30 O16 -","- C6 H32 Dy2 N30 O16 -","1","0.5","","Knoll, Christian; Müller, Danny; Giester, Gerald; Ofner, Johannes; Lendl, Bernhard; Weinberger, Peter; Steinhauser, Georg","An unusually water-poor 5,5′-azobistetrazolate of dysprosium: stabilization of a nitrogen-rich heterocycle by a minimum of hydrogen bonds","New Journal of Chemistry","2013","37","12","3840","","10.1039/c3nj00492a","","","0.71073","MoKα","","0.025","0.0195","","","0.0416","0.0431","","","","","","1.041","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053239","30.805","0.007","30.805","0.007","14.937","0.003","90","","90","","90","","14174","5","110","","110","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C39.07 H42.07 Cl0.22 N4 -","- C39.0731 H42.0731 Cl0.2193 N4 -","- C625.17 H673.17 Cl3.5088 N64 -","16","1","","Deans, Richard M.; Mass, Olga; Diers, James R.; Bocian, David F.; Lindsey, Jonathan S.","Serendipitous synthetic entrée to tetradehydro analogues of cobalamins","New Journal of Chemistry","2013","37","12","3964","","10.1039/c3nj00574g","","","0.71073","MoKα","","0.0963","0.053","","","0.1321","0.1543","","","","","","1.034","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053240","7.6351","0.0012","8.811","0.0008","16.5849","0.0019","77.5","0.009","86.211","0.01","76.035","0.01","1057","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H31 N3 O3 -","- C23 H31 N3 O3 -","- C46 H62 N6 O6 -","2","1","","Klikar, Milan; Bureš, Filip; Pytela, Oldřich; Mikysek, Tomáš; Padělková, Zdeňka; Barsella, Alberto; Dorkenoo, Kokou; Achelle, Sylvain","N,N′-Dibutylbarbituric acid as an acceptor moiety in push–pull chromophores","New Journal of Chemistry","2013","37","12","4230","","10.1039/c3nj00683b","","","0.71073","MoKα","","0.0631","0.0484","","","0.1149","0.1282","","","","","","1.091","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053241","7.878","0.0004","8.885","0.0008","14.7671","0.0016","82.567","0.007","84.778","0.007","76.935","0.006","996.38","0.15","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C42 H58 N6 O6 -","2","1","","Klikar, Milan; Bureš, Filip; Pytela, Oldřich; Mikysek, Tomáš; Padělková, Zdeňka; Barsella, Alberto; Dorkenoo, Kokou; Achelle, Sylvain","N,N′-Dibutylbarbituric acid as an acceptor moiety in push–pull chromophores","New Journal of Chemistry","2013","37","12","4230","","10.1039/c3nj00683b","","","0.71073","MoKα","","0.1326","0.072","","","0.1436","0.1792","","","","","","1.127","","","","has coordinates","301851","2025-08-21","20:32:43",""
"7053242","12.393","0.005","12.925","0.005","20.31","0.009","93.317","0.005","91.661","0.005","100.267","0.005","3193","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- B16 Cd3 H53.5 Na3.5 O79.5 V12 -","- B16 Cd3 Na3.5 O79.5 V12 -","- B32 Cd6 Na7 O159 V24 -","2","1","","Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Kong, Chunyang; Zou, Huahong; Tang, Qiuling; Li, Jianhui","Two new 3-D boratopolyoxovanadate architectures based on the [V12B16O50(OH)8]12− cluster with different metal linkers","New Journal of Chemistry","2013","37","12","4077","","10.1039/c3nj00793f","","","0.71073","MoKα","","0.083","0.0744","","","0.223","0.2316","","","","","","1.103","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053243","17.048","0.008","17.431","0.008","23.628","0.011","90","","90.063","0.008","90","","7021","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B16 H51 Na O76 V12 Zn2 -","- B16 Na O76 V12 Zn2 -","- B64 Na4 O304 V48 Zn8 -","4","0.5","","Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Kong, Chunyang; Zou, Huahong; Tang, Qiuling; Li, Jianhui","Two new 3-D boratopolyoxovanadate architectures based on the [V12B16O50(OH)8]12− cluster with different metal linkers","New Journal of Chemistry","2013","37","12","4077","","10.1039/c3nj00793f","","","0.71073","MoKα","","0.0826","0.0721","","","0.208","0.2196","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7053244","12.2233","0.0012","15.1078","0.0015","12.1652","0.0012","90","","105.227","0.001","90","","2167.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Ag2 F12 N12 P2 -","- C36 H40 Ag2 F12 N12 P2 -","- C72 H80 Ag4 F24 N24 P4 -","2","0.5","","Biffis, Andrea; Cipani, Matteo; Tubaro, Cristina; Basato, Marino; Costante, Michele; Bressan, Edoardo; Venzo, Alfonso; Graiff, Claudia","Dinuclear complexes of silver(i) and gold(i) with macrocyclic dicarbene ligands bearing a 2,6-lutidinyl bridge: synthesis, structural analysis and dynamic behaviour in solution","New Journal of Chemistry","2013","37","12","4176","","10.1039/c3nj01000g","","","0.71073","MoKα","","0.0353","0.0306","","","0.0822","0.0868","","","","","","1.051","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053245","10.8843","0.0006","11.3235","0.0007","12.6353","0.0007","72.9578","0.0008","79.9609","0.0009","69.2499","0.0008","1387.99","0.14","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 Au2 F12 N14 P2 -","- C50 H50 Au2 F12 N14 P2 -","- C50 H50 Au2 F12 N14 P2 -","1","0.5","","Biffis, Andrea; Cipani, Matteo; Tubaro, Cristina; Basato, Marino; Costante, Michele; Bressan, Edoardo; Venzo, Alfonso; Graiff, Claudia","Dinuclear complexes of silver(i) and gold(i) with macrocyclic dicarbene ligands bearing a 2,6-lutidinyl bridge: synthesis, structural analysis and dynamic behaviour in solution","New Journal of Chemistry","2013","37","12","4176","","10.1039/c3nj01000g","","","0.71073","MoKα","","0.0374","0.031","","","0.0782","0.081","","","","","","1.04","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7054070","8.4373","0.0014","9.5358","0.0016","10.6711","0.0018","91.896","0.003","105.717","0.003","107.104","0.003","784","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H26 B9 N4 S -","- C5 H26 B9 N4 S -","- C10 H52 B18 N8 S2 -","2","1","","Stogniy, Marina Yu.; Sivaev, Igor B.; Godovikov, Ivan A.; Starikova, Zoya A.; Bregadze, Vladimir I.; Qi, Shicheng","Synthesis of new ω-amino- and ω-azidoalkyl carboranes","New Journal of Chemistry","2013","37","12","3865","","10.1039/c3nj00677h","","","0.71073","MoKα","","0.0504","0.0447","","","0.1184","0.1241","","","","","","1.062","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054071","8.947","0.0018","20.874","0.004","10.471","0.002","90","","100.02","0.03","90","","1925.7","0.7","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Mn2 N O9 -","- C16 H25 Mn2 N O9 -","- C64 H100 Mn8 N4 O36 -","4","1","","Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri","Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand","New Journal of Chemistry","2013","37","12","4130","","10.1039/c3nj00812f","","","0.75001","synchrotron","","0.0457","0.0453","","","0.1172","0.1174","","","","","","1.115","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054072","28.365","0.004","28.365","0.004","13.361","0.003","90","","90","","90","","10750","3","95","2","95","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C18 H33 Co2 N2 O11.5 -","- C18 H30 Co2 N2 O10 -","- C288 H480 Co32 N32 O160 -","16","","","Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri","Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand","New Journal of Chemistry","2013","37","12","4130","","10.1039/c3nj00812f","","","0.80003","synchrotron","","0.0645","0.0614","","","0.1411","0.1423","","","","","","1.206","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054073","12.108","0.002","17.477","0.004","20.111","0.004","90","","91.99","0.03","90","","4253.2","1.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 N2 O20 Tb3 -","- C33 H50 N2 O20 Tb3 -","- C132 H200 N8 O80 Tb12 -","4","1","","Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri","Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand","New Journal of Chemistry","2013","37","12","4130","","10.1039/c3nj00812f","","","0.71073","MoKα","","0.0638","0.0396","","","0.0827","0.0937","","","","","","1.028","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054074","16.681","0.006","18.988","0.006","15.587","0.007","90","","90","","90","","4937","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H48 Ce3 Mn2 Na O31 -","- C16 H24 Ce3 Mn2 Na O27 -","- C64 H96 Ce12 Mn8 Na4 O108 -","4","0.5","","Zhang, Chunjing; Chen, Yanyan; Ma, Huiyuan; Yu, Tingting; Liu, Bo; Pang, Haijun","Synthesis and structural characterization of 3d‒4f heterometallic coordination polymers: from cluster to chain","New Journal of Chemistry","2013","37","5","1364","","10.1039/c3nj41064a","","","0.71069","MoKα","","0.0927","0.0578","","","0.1351","0.1478","","","","","","0.93","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054075","8.255","0.001","10.394","0.001","11.55","0.001","111.477","0.001","107.859","0.001","93.506","0.001","860.78","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H38 Mn Na2 Nd2 O24 -","- C16 H24 Mn Na2 Nd2 O24 -","- C16 H24 Mn Na2 Nd2 O24 -","1","0.5","","Zhang, Chunjing; Chen, Yanyan; Ma, Huiyuan; Yu, Tingting; Liu, Bo; Pang, Haijun","Synthesis and structural characterization of 3d‒4f heterometallic coordination polymers: from cluster to chain","New Journal of Chemistry","2013","37","5","1364","","10.1039/c3nj41064a","","","0.71069","MoKα","","0.038","0.0316","","","0.0749","0.0779","","","","","","1.024","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054076","19.6993","0.0002","20.9296","0.0003","19.2039","0.0002","90","","92.301","0.001","90","","7911.35","0.16","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 O15 S14 Ti4 -","- C70 H70 O15 S14 Ti4 -","- C280 H280 O60 S56 Ti16 -","4","1","","Mehner, Alexander; Rüffer, Tobias; Lang, Heinrich; Schlesinger, Maik; Mehring, Michael; Spange, Stefan","Chirality and reversible solid state phase transition of a tetranuclear titanium oxido cluster","New Journal of Chemistry","2013","37","5","1290","","10.1039/c3nj40775f","","","1.54184","CuKα","","0.0763","0.0592","","","0.1584","0.1758","","","","","","1.028","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054077","20.1052","0.0006","20.8771","0.0005","18.6043","0.0005","90","","96.981","0.003","90","","7751","0.4","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 O15 S14 Ti4 -","- C70 H70 O15 S14 Ti4 -","- C280 H280 O60 S56 Ti16 -","4","1","","Mehner, Alexander; Rüffer, Tobias; Lang, Heinrich; Schlesinger, Maik; Mehring, Michael; Spange, Stefan","Chirality and reversible solid state phase transition of a tetranuclear titanium oxido cluster","New Journal of Chemistry","2013","37","5","1290","","10.1039/c3nj40775f","","","0.71073","MoKα","","0.0749","0.0527","","","0.1415","0.1591","","","","","","1.065","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054078","22.889","0.007","13.486","0.004","21.398","0.006","90","","113.624","0.004","90","","6052","3","163","2","163","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 O16 S4 -","- C60 H72 O16 S4 -","- C240 H288 O64 S16 -","4","0.5","","Georghiou, Paris E.; Rahman, Shofiur; Valluru, Gopikishore; Dawe, Louise N.; Rahman, S. M. Saydur; Alodhayb, Abdullah N.; Beaulieu, L. Y.","Synthesis of an upper- and lower-rim functionalized calix[4]arene for detecting calcium ions using a microcantilever sensor","New Journal of Chemistry","2013","37","5","1298","","10.1039/c3nj00223c","","","0.71075","MoKα","","0.1061","0.0944","","","0.2554","0.266","","","","","","1.126","","","","has coordinates,has disorder","301851","2025-08-21","20:32:46",""
"7054079","20.167","0.003","19.979","0.005","15.367","0.004","90","","113.935","0.013","90","","5659","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N4 O2 S7 -","- C26 H22 N4 O2 S7 -","- C208 H176 N32 O16 S56 -","8","1","","Belhadj, Esmah; El-Ghayoury, Abdelkrim; Ripaud, Emilie; Zorina, Leokadiya; Allain, Magali; Batail, Patrick; Mazari, Miloud; Sallé, Marc","Terpyridine–tetrathiafulvalene hybrid ligands and their electroactive metal complexes","New Journal of Chemistry","2013","37","5","1427","","10.1039/c3nj00041a","","","0.71073","MoKα","","0.1545","0.0675","","","0.1266","0.168","","","","","","1.077","","","","has coordinates,has disorder","301851","2025-08-21","20:32:46",""
"7054080","25.001","0.002","11.856","0.001","20.044","0.001","90","","117.164","0.007","90","","5286","0.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 N4 O2 S6 -","- C25 H20 N4 O2 S6 -","- C200 H160 N32 O16 S48 -","8","1","","Belhadj, Esmah; El-Ghayoury, Abdelkrim; Ripaud, Emilie; Zorina, Leokadiya; Allain, Magali; Batail, Patrick; Mazari, Miloud; Sallé, Marc","Terpyridine–tetrathiafulvalene hybrid ligands and their electroactive metal complexes","New Journal of Chemistry","2013","37","5","1427","","10.1039/c3nj00041a","","","0.71073","MoKα","","0.1375","0.0589","","","0.0841","0.1066","","","","","","1.07","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054081","8.967","0.009","17.79","0.01","21.38","0.02","83","0.1","88.3","0.1","77.74","0.09","3308","5","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H45 Cl2 N8 Ni O10.5 S16 -","- C52 H44 Cl2 N8 Ni O10.5 S16 -","- C104 H88 Cl4 N16 Ni2 O21 S32 -","2","1","","Belhadj, Esmah; El-Ghayoury, Abdelkrim; Ripaud, Emilie; Zorina, Leokadiya; Allain, Magali; Batail, Patrick; Mazari, Miloud; Sallé, Marc","Terpyridine‒tetrathiafulvalene hybrid ligands and their electroactive metal complexes","New Journal of Chemistry","2013","37","5","1427","","10.1039/c3nj00041a","","","0.71073","MoKα","","0.3442","0.1152","","","0.2286","0.3306","","","","","","1.028","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054082","8.199","0.0008","11.455","0.001","19.958","0.002","96.439","0.007","90.342","0.007","110.707","0.008","1740.2","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26 Cl2 N4 O2 S8 Zn -","- C26 H22 Cl2 N4 O S8 Zn -","- C52 H44 Cl4 N8 O2 S16 Zn2 -","2","1","","Belhadj, Esmah; El-Ghayoury, Abdelkrim; Ripaud, Emilie; Zorina, Leokadiya; Allain, Magali; Batail, Patrick; Mazari, Miloud; Sallé, Marc","Terpyridine‒tetrathiafulvalene hybrid ligands and their electroactive metal complexes","New Journal of Chemistry","2013","37","5","1427","","10.1039/c3nj00041a","","","0.71073","MoKα","","0.0836","0.059","","","0.144","0.1553","","","","","","1.05","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054083","8.177","0.001","11.319","0.001","20.788","0.001","90","","90","","90","","1924","0.3","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N3 O8 S -","- C15 H16 F3 N3 O8 S -","- C60 H64 F12 N12 O32 S4 -","4","1","","Chaume, Grégory; Feytens, Debby; Chassaing, Gérard; Lavielle, Solange; Brigaud, Thierry; Miclet, Emeric","Conformational properties of peptides incorporating a fluorinated pseudoproline residue","New Journal of Chemistry","2013","37","5","1336","","10.1039/c3nj41084f","","","0.71069","MoKα","","0.044","0.0345","","","0.0791","0.0829","","","","","","1.056","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054084","6.8983","0.0006","12.0634","0.001","12.5086","0.001","90","","90","","90","","1040.93","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Cl F N O -","- C9 H17 Cl F N O -","- C36 H68 Cl4 F4 N4 O4 -","4","1","","Dutheuil, Guillaume; Pierry, Camille; Villiers, Emilie; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Straightforward asymmetric synthesis of Ala-Ψ[CFCH]-Pro, a proline-containing pseudodipeptide bearing a fluoroolefin as a peptide bond mimic","New Journal of Chemistry","2013","37","5","1320","","10.1039/c2nj40891k","","x-ray","0.71073","MoKα","","0.0272","0.0266","","","0.0689","0.07","","","","","","1.118","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054112","6.8185","0.0002","9.5913","0.0003","10.5299","0.0003","90","","105.586","0.002","90","","663.31","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Laufer, Sonja; Strobel, Sabine; Schleid, Thomas; Cybinska, Joanna; Mudring, Anja-Verena; Hartenbach, Ingo","Yttrium(iii) oxomolybdates(vi) as potential host materials for luminescence applications: an investigation of Eu3±doped Y2[MoO4]3 and Y2[MoO4]2[Mo2O7]","New Journal of Chemistry","2013","37","7","1919","","10.1039/c3nj00166k","","","0.71073","MoKα","","0.0277","0.0271","","","0.0704","0.071","","","","","","1.046","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054113","10.3021","0.0003","10.3241","0.0003","10.5725","0.0003","90","","90","","90","","1124.49","0.06","293","2","293","2","","","","","","","","3","P b a 2","P 2 -2ab","32","","","","- Mo3 O12 Y2 -","- Mo3 O12 Y2 -","- Mo12 O48 Y8 -","4","1","","Laufer, Sonja; Strobel, Sabine; Schleid, Thomas; Cybinska, Joanna; Mudring, Anja-Verena; Hartenbach, Ingo","Yttrium(iii) oxomolybdates(vi) as potential host materials for luminescence applications: an investigation of Eu3±doped Y2[MoO4]3 and Y2[MoO4]2[Mo2O7]","New Journal of Chemistry","2013","37","7","1919","","10.1039/c3nj00166k","","","0.71073","MoKα","","0.047","0.037","","","0.0721","0.0755","","","","","","1.032","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054114","7.2927","0.0002","7.2927","0.0002","10.5726","0.0003","90","","90","","90","","562.29","0.03","293","2","293","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","","","","- Mo3 O12 Y2 -","- Mo3 O12 Y2 -","- Mo6 O24 Y4 -","2","0.25","","Laufer, Sonja; Strobel, Sabine; Schleid, Thomas; Cybinska, Joanna; Mudring, Anja-Verena; Hartenbach, Ingo","Yttrium(iii) oxomolybdates(vi) as potential host materials for luminescence applications: an investigation of Eu3±doped Y2[MoO4]3 and Y2[MoO4]2[Mo2O7]","New Journal of Chemistry","2013","37","7","1919","","10.1039/c3nj00166k","","","0.71073","MoKα","","0.0252","0.0221","","","0.0431","0.0439","","","","","","1.058","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054115","15.7778","0.0004","14.6264","0.0004","29.5827","0.0007","90","","97.554","0.001","90","","6767.6","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Cd0.5 N6 O7 S -","- C24 H25 Cd0.5 N6 O7 S -","- C192 H200 Cd4 N48 O56 S8 -","8","1","","Lee, Hyo Hee; Jung, Sung Ho; Park, Sunhong; Park, Ki-Min; Jung, Jong Hwa","A metal‒organic framework gel with Cd2+ derived from only coordination bonds without intermolecular interactions and its catalytic ability","New Journal of Chemistry","2013","37","8","2330","","10.1039/c3nj00164d","","","0.71073","MoKα","","0.0366","0.0322","","","0.0845","0.0865","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054116","11.497","0.002","11.542","0.002","12.417","0.003","113.9","0.03","106.8","0.03","99.11","0.03","1368.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 Br2 N10 O8 S2 -","- C56 H52 Br2 N10 O8 S2 -","- C56 H52 Br2 N10 O8 S2 -","1","0.5","","Sun, Hubin; Liu, Lang; Wu, Dongling; Jia, Dianzeng; Guo, Jixi","Synthesis, photochromic properties and thermal bleaching kinetics of pyrazolone phenylsemicarbazones containing a thiophene ring","New Journal of Chemistry","2013","37","8","2351","","10.1039/c3nj00241a","","","0.71073","MoKα","","0.0705","0.0404","","","0.0983","0.1405","","","","","","1.08","","","","has coordinates,has disorder","301851","2025-08-21","20:32:46",""
"7054117","12.38","0.003","11.605","0.002","19.026","0.004","90","","104.66","0.03","90","","2644.5","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Cl N5 O3 S -","- C27 H22 Cl N5 O3 S -","- C108 H88 Cl4 N20 O12 S4 -","4","1","","Sun, Hubin; Liu, Lang; Wu, Dongling; Jia, Dianzeng; Guo, Jixi","Synthesis, photochromic properties and thermal bleaching kinetics of pyrazolone phenylsemicarbazones containing a thiophene ring","New Journal of Chemistry","2013","37","8","2351","","10.1039/c3nj00241a","","","0.71073","MoKα","","0.1096","0.067","","","0.1671","0.1844","","","","","","1.057","","","","has coordinates","301851","2025-08-21","20:32:46",""