# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-05T09:25:56+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'CrystEngComm') AND volume = 28 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
"7251056","14.5096","0.0009","17.8805","0.0011","10.3906","0.0006","90","","110.379","0.002","90","","2527","0.3","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","2","","Constantin, Ana M.; Mele, Francesco; Botla, Vinayak; Ca', Nicola Della; Maggi, Raimondo; Maestri, Giovanni; Cerveri, Alessandro; Sundermann, Remie M.; Cauzzi, Daniele; Pancrazzi, Francesco; Mazzeo, Paolo P.","A deep dive into mechanochemical organic reactions by accurate crystallographic analysis via TAAM refinement","CrystEngComm","2026","28","13","2029","2035","10.1039/D5CE00677E","","","0.71073","MoKα","","0.0559","0.0438","","","0.0885","0.0934","","","","","","1.142","","","","has coordinates","305343","2026-04-05","11:58:50",""
"7251057","11.954","0.002","7.454","0.002","15.468","0.003","90","","95.33","0.03","90","","1372.3","0.5","294","2","294.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Constantin, Ana M.; Mele, Francesco; Botla, Vinayak; Ca', Nicola Della; Maggi, Raimondo; Maestri, Giovanni; Cerveri, Alessandro; Sundermann, Remie M.; Cauzzi, Daniele; Pancrazzi, Francesco; Mazzeo, Paolo P.","A deep dive into mechanochemical organic reactions by accurate crystallographic analysis via TAAM refinement","CrystEngComm","2026","28","13","2029","2035","10.1039/D5CE00677E","","","0.71073","MoKα","","0.0429","0.039","","","0.1115","0.1168","","","","","","1.058","","","","has coordinates,has disorder","305343","2026-04-05","11:58:50",""
"7251080","6.4378","0.0002","7.2041","0.0002","19.8873","0.0008","94.374","0.003","90.518","0.003","94.324","0.002","916.94","0.05","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H3 F5 S -","- C10 H3 F5 S -","- C40 H12 F20 S4 -","4","2","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene","CrystEngComm","2026","28","2","390","395","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.1179","0.1108","","","0.3371","0.3419","","","","","","1.154","","","","has coordinates","304897","2026-03-05","12:38:06",""
"7251081","8.5617","0.0003","19.8126","0.0006","11.6723","0.0004","90","","94.529","0.003","90","","1973.78","0.11","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 F5 S Si -","- C19 H23 F5 S Si -","- C76 H92 F20 S4 Si4 -","4","1","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene","CrystEngComm","2026","28","2","390","395","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.0761","0.0723","","","0.2104","0.2166","","","","","","1.092","","","","has coordinates","304897","2026-03-05","12:38:09",""
"7251082","30.7633","0.0003","6.8541","0.0001","13.4097","0.0002","90","","90","","90","","2827.5","0.07","153","","153","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H11 F5 S Si -","- C13 H11 F5 S Si -","- C104 H88 F40 S8 Si8 -","8","2","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene","CrystEngComm","2026","28","2","390","395","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.0358","0.0344","","","0.0913","0.0924","","","","","","1.081","","","","has coordinates","304897","2026-03-05","12:38:15",""
"7251083","7.453","0.0003","7.5747","0.0002","17.1723","0.0005","85.62","0.002","80.227","0.003","61.642","0.004","840.72","0.06","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 F5 S Si -","- C16 H17 F5 S Si -","- C32 H34 F10 S2 Si2 -","2","1","","Yonezawa, Takeharu; Ito, Hajime; Jin, Mingoo","Systematic investigation of the effect of trialkylsilyl groups on the crystal structures of perfluorophenyl-substituted thiophene","CrystEngComm","2026","28","2","390","395","10.1039/D5CE00898K","","x-ray","1.54184","CuKα","","0.0442","0.0391","","","0.1131","0.1165","","","","","","1.126","","","","has coordinates","304897","2026-03-05","12:38:16",""
"7251237","4.8568","0.0002","7.9049","0.0003","18.9454","0.0009","79.632","0.002","87.383","0.002","77.432","0.001","698.33","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N19 O14 -","- C16 H25 N19 O14 -","- C16 H25 N19 O14 -","1","0.5","","Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Synthesis of energetic materials derived from hydroxynitropyrazine","CrystEngComm","2026","28","1","163","168","10.1039/D5CE01009H","","","0.71073","MoKα","","0.0782","0.0517","","","0.123","0.1411","","","","","","1.058","","","","has coordinates,has disorder","304891","2026-03-05","12:35:01",""
"7251238","7.8258","0.0019","8.446","0.002","10.152","0.002","90.324","0.008","100.963","0.008","116.811","0.007","584.7","0.2","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H9 Li N4 Na O11 -","- C4 H8 Li N4 Na O11 -","- C8 H16 Li2 N8 Na2 O22 -","2","1","","Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Synthesis of energetic materials derived from hydroxynitropyrazine","CrystEngComm","2026","28","1","163","168","10.1039/D5CE01009H","","","0.71073","MoKα","","0.1673","0.0932","","","0.2328","0.3104","","","","","","1.053","","","","has coordinates","304891","2026-03-05","12:35:01",""
"7251239","8.3085","0.0003","16.2606","0.0005","18.1267","0.0007","73.099","0.001","88.41","0.001","86.483","0.001","2338.63","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 K9 N20 O38 -","- C20 H9 K9 N20 O35 -","- C40 H18 K18 N40 O70 -","2","1","","Jiang, Xiu'e; Xu, Zeyu; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua","Synthesis of energetic materials derived from hydroxynitropyrazine","CrystEngComm","2026","28","1","163","168","10.1039/D5CE01009H","","x-ray","0.71073","MoKα","","0.0698","0.0558","","","0.1338","0.1453","","","","","","1.037","","","","has coordinates","304891","2026-03-05","12:35:01",""
"7251248","10.4631","0.00001","10.4631","0.00001","37.42078","0.00006","90","","90","","120","","3547.84","0.007","293","1","293","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Ca8.61Cd0.69La0.82(PO4)7","Ca8CdLa(PO4)7","","- Ca8.61 Cd0.69 La0.82 O28 P7 -","- Ca8.614 Cd0.692 La0.822 O28 P7 -","- Ca51.684 Cd4.152 La4.932 O168 P42 -","6","0.333333","","Sipina, Elena V.; Zhukovskaya, Evgeniya S.; Morozov, Vladimir A.; Stefanovich, Sergey Yu.; Grebenev, Vadim V.; Belik, Alexei A.; Lazoryak, Bogdan I.; Deyneko, Dina V.","β-Ca3(PO4)2-related structure and dielectric properties of Ca8CdLa(PO4)7","CrystEngComm","2026","28","1","143","151","10.1039/D5CE00787A","powder diffraction","x-ray","0.65297","synchrotron","","0.0358","0.0351","","0.0435","0.0434","","","","3.37","","","","","","","has coordinates","304892","2026-03-05","12:36:11",""
"7251435","13.1077","0.0008","19.8491","0.0013","13.2457","0.0009","90","","96.073","0.002","90","","3426.9","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Cl Cu N3 O4 P2 -","- C36 H33 Cl Cu N3 O4 P2 -","- C144 H132 Cl4 Cu4 N12 O16 P8 -","4","1","","Mao, Zhen; Li, Hai-Jian; He, Xue; Liu, Sui-Jun; Wen, He-Rui; He, Li-Hua; Chen, Jing-Lin","Tricolor reversible luminescence switching of a mechano-/vapo-chromic mononuclear Cu(i) complex","CrystEngComm","2026","28","12","1877","1882","10.1039/D5CE01142F","","","0.71073","MoKα","","0.109","0.0543","","","0.1327","0.172","","","","","","1.042","","","","has coordinates","305351","2026-04-05","12:00:00",""
"7251436","20.8314","0.0018","17.0911","0.0016","22.858","0.003","90","","105.845","0.01","90","","7828.9","1.5","270.5","0.3","270.5","0.3","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C39 H39 Cl Cu N3 O5 P2 -","- C39 H39 Cl Cu N3 O5 P2 -","- C312 H312 Cl8 Cu8 N24 O40 P16 -","8","1","","Mao, Zhen; Li, Hai-Jian; He, Xue; Liu, Sui-Jun; Wen, He-Rui; He, Li-Hua; Chen, Jing-Lin","Tricolor reversible luminescence switching of a mechano-/vapo-chromic mononuclear Cu(i) complex","CrystEngComm","2026","28","12","1877","1882","10.1039/D5CE01142F","","x-ray","0.71073","MoKα","","0.198","0.0769","","","0.1946","0.2512","","","","","","0.992","","","","has coordinates","305351","2026-04-05","12:00:00",""
"7251437","5.074","0.001","5.261","0.0011","12.385","0.003","90.1","0.03","97.94","0.03","95.82","0.03","325.71","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","1","0.5","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.7108","synchrotron","","0.0712","0.0551","","","0.1392","0.1512","","","","","","1.027","","","","has coordinates","304261","2026-02-12","22:03:18",""
"7251438","31.934","0.006","4.75","0.0009","29.072","0.006","90","","99.72","0.03","90","","4346.5","1.5","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18.33 H19.09 Mn N3.44 O10.94 -","- C18.326 H16.094 Mn N3.442 O9.442 -","- C146.608 H128.752 Mn8 N27.536 O75.536 -","8","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.7108","synchrotron","","0.1431","0.098","","","0.2783","0.3254","","","","","","1.063","","","","has coordinates,has disorder","304261","2026-02-12","22:03:18",""
"7251439","13.425","0.003","17.687","0.004","9.629","0.0019","90","","91.03","0.03","90","","2286","0.9","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Ca N4 O10 -","- C20 H20 Ca N4 O10 -","- C80 H80 Ca4 N16 O40 -","4","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.71092","synchrotron","","0.2235","0.1531","","","0.3902","0.4302","","","","","","1.092","","","","has coordinates","304261","2026-02-12","22:03:18",""
"7251440","20.7529","0.0005","5.6389","0.0001","16.0661","0.0003","90","","118.704","0.002","90","","1649.07","0.07","122.99","0.11","122.99","0.11","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H14 N2 O9 -","- C16 H14 N2 O9 -","- C64 H56 N8 O36 -","4","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","x-ray","1.54178","CuKα","","0.0482","0.0465","","","0.1268","0.1286","","","","","","1.107","","","","has coordinates,has disorder","304261","2026-02-12","22:03:18",""
"7251441","5.7316","0.0002","6.1988","0.0002","12.473","0.0005","85.726","0.003","80.66","0.003","81.607","0.003","432.01","0.03","122.99","0.1","122.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O8 -","- C18 H16 N2 O8 -","- C18 H16 N2 O8 -","1","0.5","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","x-ray","1.54184","CuKα","","0.0568","0.0445","","","0.1134","0.1599","","","","","","1.194","","","","has coordinates","304261","2026-02-12","22:03:18",""
"7251442","32.04","0.006","4.74","0.0009","29.17","0.006","90","","99.52","0.03","90","","4369","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18.45 H19.38 N3.48 O10.98 Zn -","- C18.449 H16.381 N3.483 O9.483 Zn -","- C147.592 H131.048 N27.864 O75.864 Zn8 -","8","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.71076","Synchrotron","","0.0602","0.0565","","","0.1702","0.1745","","","","","","1.162","","","","has coordinates,has disorder","304261","2026-02-12","22:03:18",""
"7251443","8.635","0.0017","20.581","0.004","12.07","0.002","90","","101.8","0.03","90","","2099.7","0.7","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H34 Co2 N6 O18 -","- C38 H34 Co2 N6 O18 -","- C76 H68 Co4 N12 O36 -","2","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.7108","Synchrotron","","0.077","0.0634","","","0.1744","0.1879","","","","","","1.034","","","","has coordinates,has disorder","304261","2026-02-12","22:03:18",""
"7251444","9.88","0.002","10.14","0.002","13.57","0.003","84.31","0.03","71.44","0.03","63.63","0.03","1153.2","0.6","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Mn N4 O10 -","- C20 H20 Mn N4 O10 -","- C40 H40 Mn2 N8 O20 -","2","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.71076","synchrotron","","0.0962","0.088","","","0.2614","0.2727","","","","","","1.148","","","","has coordinates","304261","2026-02-12","22:03:18",""
"7251445","9.6362","0.0005","10.1021","0.0007","13.5166","0.0006","84.244","0.004","71.817","0.004","63.4","0.006","1116.56","0.13","123","0.2","123","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Co N4 O10 -","- C20 H20 Co N4 O10 -","- C40 H40 Co2 N8 O20 -","2","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","x-ray","1.54184","CuKα","","0.0919","0.0751","","","0.2171","0.2322","","","","","","1.047","","","","has coordinates","304261","2026-02-12","22:03:19",""
"7251446","4.79","0.001","15.013","0.003","25.31","0.005","90","","90","","90","","1820.1","0.6","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cd N3 O9 -","- C17 H13 Cd N3 O9 -","- C68 H52 Cd4 N12 O36 -","4","1","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","","0.7109","synchrotron","","0.2473","0.1419","","","0.3587","0.4283","","","","","","1.201","","","","has coordinates,has disorder","304261","2026-02-12","22:03:19",""
"7251447","4.973","0.0001","9.0826","0.0004","12.8166","0.0004","91.128","0.003","92.195","0.002","94.386","0.003","576.63","0.03","123","0.11","123","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N4 O10 -","- C20 H20 Cd N4 O10 -","- C20 H20 Cd N4 O10 -","1","0.5","","Cao, Winnie; Glascott, Bianca K.; Izgorodina, Ekaterina I.; Turner, David R.","Conformational preferences of diimide-based dicarboxylate species and their coordination polymers","CrystEngComm","2026","28","3","736","747","10.1039/D5CE00993F","","x-ray","0.71073","MoKα","","0.024","0.0236","","","0.0556","0.0558","","","","","","1.038","","","","has coordinates,has disorder","304261","2026-02-12","22:03:19",""
"7251448","21.765","0.0003","21.8911","0.0003","26.7368","0.0002","70.548","0.001","77.185","0.001","87.923","0.001","11702.9","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C208 H258 Ag6 N16 O28 S16 Ti6 -","- C176 H210 Ag6 O28 S16 Ti6 -","- C352 H420 Ag12 O56 S32 Ti12 -","2","1","","Han, Qian; Wang, Xiao-Wei; Zhu, Hong-Yan; Li, Lan-Yan; Yu, Wei-Dong; Liu, Chao","Anchored Ag+ sites on a thiacalix[4]arene-stabilized Ti-oxo cluster enable efficient CO2-to-CO electroreduction","CrystEngComm","2026","28","4","806","811","10.1039/D5CE01062D","","x-ray","1.54184","CuKα","","0.0563","0.0441","","","0.1281","0.136","","","","","","1.059","","","","has coordinates,has disorder","304262","2026-02-12","22:03:56",""
"7251449","12.8614","0.0005","13.3481","0.0005","23.7581","0.0009","90","","91.259","0.003","90","","4077.7","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H104 N4 O12 S4 Ti2 -","- C76 H104 N4 O12 S4 Ti2 -","- C152 H208 N8 O24 S8 Ti4 -","2","0.5","","Han, Qian; Wang, Xiao-Wei; Zhu, Hong-Yan; Li, Lan-Yan; Yu, Wei-Dong; Liu, Chao","Anchored Ag+ sites on a thiacalix[4]arene-stabilized Ti-oxo cluster enable efficient CO2-to-CO electroreduction","CrystEngComm","2026","28","4","806","811","10.1039/D5CE01062D","","x-ray","0.71073","MoKα","","0.1018","0.0915","","","0.2731","0.2852","","","","","","0.985","","","","has coordinates,has disorder","304262","2026-02-12","22:03:56",""
"7251450","5.9187","0.0002","8.0533","0.0003","10.5862","0.0003","99.782","0.003","96.732","0.003","102.517","0.003","479.17","0.03","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","1","0.5","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.0404","0.0362","","","0.1011","0.1057","","","","","","1.058","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251451","13.4185","0.0005","9.8231","0.0004","7.2136","0.0003","90","","90.961","0.004","90","","950.7","0.07","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","0.5","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.0455","0.0386","","","0.0977","0.1032","","","","","","1.067","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251452","3.9172","0.0001","9.6395","0.0002","50.1648","0.0011","90","","90","","90","","1894.22","0.07","150","0.2","150","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.0398","0.0356","","","0.0915","0.0942","","","","","","1.044","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251453","22.6748","0.0007","8.4634","0.0003","5.3937","0.0002","90","","90","","90","","1035.08","0.06","150","0.2","150","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.0431","0.0381","","","0.0972","0.1009","","","","","","1.05","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251454","6.9802","0.0003","8.0029","0.0004","10.9422","0.0007","69.905","0.005","72.221","0.005","68.201","0.005","521.8","0.05","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.0428","0.0386","","","0.1099","0.1139","","","","","","1.082","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251455","8.8556","0.0002","10.0594","0.0003","21.7173","0.0006","90","","98.001","0.003","90","","1915.79","0.09","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","2","","Hill, Max T.; Birch-Machin, Mark A.; Sellars, Jonathan D.; Waddell, Paul G.","Four polymorphic structures of a symmetric azo dye","CrystEngComm","2026","28","11","1781","1790","10.1039/D5CE01159K","","x-ray","1.54184","CuKα","","0.042","0.0378","","","0.098","0.1006","","","","","","1.031","","","","has coordinates","305347","2026-04-05","11:59:24",""
"7251456","11.3658","0.0003","25.1078","0.0007","22.8023","0.0006","90","","104.364","0.001","90","","6303.7","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C73 H76 Br2 O10 -","- C73 H76 Br2 O10 -","- C292 H304 Br8 O40 -","4","1","","Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene","CrystEngComm","2026","28","8","1331","1338","10.1039/D5CE01118C","","","1.54178","CuKα","","0.1301","0.1034","","","0.2755","0.3181","","","","","","1.272","","","","has coordinates,has disorder","304896","2026-03-05","12:37:41",""
"7251457","11.1392","0.0005","25.2833","0.0011","22.6009","0.0012","90","","103.461","0.002","90","","6190.4","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H72 Br2 O10 -","- C71 H72 Br2 O10 -","- C284 H288 Br8 O40 -","4","0.5","","Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene","CrystEngComm","2026","28","8","1331","1338","10.1039/D5CE01118C","","","1.54178","CuKα","","0.0801","0.0611","","","0.1654","0.185","","","","","","1.055","","","","has coordinates,has disorder","304896","2026-03-05","12:37:42",""
"7251458","39.404","0.002","10.6754","0.0007","24.3659","0.0014","90","","107.392","0.004","90","","9781","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C106 H128 Br4 O12 -","- C106 H128 Br4 O12 -","- C424 H512 Br16 O48 -","4","0.5","","Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene","CrystEngComm","2026","28","8","1331","1338","10.1039/D5CE01118C","","","1.54178","CuKα","","0.1199","0.0752","","","0.2133","0.2571","","","","","","1.03","","","","has coordinates,has disorder","304896","2026-03-05","12:37:42",""
"7251459","38.7491","0.0009","10.4816","0.0002","23.9295","0.0005","90","","107.054","0.001","90","","9291.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H120 Br4 O12 -","- C102 H120 Br4 O12 -","- C408 H480 Br16 O48 -","4","0.5","","Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene","CrystEngComm","2026","28","8","1331","1338","10.1039/D5CE01118C","","","1.54178","CuKα","","0.0621","0.0494","","","0.131","0.1436","","","","","","1.023","","","","has coordinates","304896","2026-03-05","12:37:42",""
"7251460","7.3871","0.0001","17.4215","0.0002","18.6866","0.0003","90","","100.156","0.0014","90","","2367.18","0.06","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cl2 N4 O -","- C22 H34 Cl2 N4 O -","- C88 H136 Cl8 N16 O4 -","4","1","","Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G.","1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions","CrystEngComm","2026","28","5","990","999","10.1039/D5CE01146A","","","1.54184","CuKα","","0.0456","0.0383","","0.0953","0.0918","0.0953","","","","","","1.0292","","","","has coordinates","304265","2026-02-12","22:05:50",""
"7251461","10.9536","0.0009","12.2674","0.0012","12.3465","0.0008","92.853","0.006","98.138","0.006","105.889","0.008","1572.7","0.2","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C36 H40 N4 O4 -","- C36 H40 N4 O4 -","- C72 H80 N8 O8 -","2","1","","Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G.","1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions","CrystEngComm","2026","28","5","990","999","10.1039/D5CE01146A","","","0.71073","MoKα","","0.1255","0.0676","","0.1489","0.1278","0.1489","","","","","","1.0221","","","","has coordinates","304265","2026-02-12","22:05:50",""
"7251462","9.4959","0.0013","17.181","0.002","23.879","0.002","90","","90","","90","","3895.8","0.8","150","","150","","","","","","","","synthesized","4","P n n a","-P 2a 2bc","52","","","","- C30 H36 N4 O4 -","- C30 H36 N4 O4 -","- C120 H144 N16 O16 -","4","0.5","","Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G.","1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions","CrystEngComm","2026","28","5","990","999","10.1039/D5CE01146A","","","0.71073","MoKα","","0.2583","0.1848","","0.2336","0.2268","0.2336","","","","","","0.9999","","","","has coordinates,has disorder","304265","2026-02-12","22:05:50",""
"7251463","30.0803","0.0005","26.6383","0.0005","26.8475","0.0005","90","","90","","90","","21512.6","0.7","150","","150","","","","","","","","synthesized","4","P b c n","-P 2n 2ab","60","","","","- C74 H80 N8 O8 -","- C74 H80 N8 O8 -","- C592 H640 N64 O64 -","8","1","","Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G.","1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions","CrystEngComm","2026","28","5","990","999","10.1039/D5CE01146A","","","1.54184","CuKα","","0.198","0.162","","0.2157","0.212","0.2157","","","","","","1.0112","","","","has coordinates","304265","2026-02-12","22:05:50",""
"7251464","22.70732","0.00009","22.70732","0.00009","17.5665","0.00011","90","","90","","90","","9057.68","0.08","150","","150","","","","","","","","synthesized","4","I 41/a :2","-I 4ad","88","","","","- C101 H100 N8 O16 -","- C101 H100 N8 O16 -","- C404 H400 N32 O64 -","4","0.25","","Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G.","1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions","CrystEngComm","2026","28","5","990","999","10.1039/D5CE01146A","","","1.54184","CuKα","","0.0449","0.0423","","0.1287","0.1253","0.1287","","","","","","0.9997","","","","has coordinates,has disorder","304265","2026-02-12","22:05:50",""
"7251465","11.867","0.002","5.9451","0.0011","14.816","0.003","90","","105.328","0.007","90","","1008.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ivacaftor","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C48 H56 N4 O6 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.0926","0.0505","","","0.0974","0.1125","","","","","","0.994","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251466","8.159","0.006","9.147","0.005","23.118","0.016","84.592","0.013","81.785","0.015","68.743","0.011","1589.7","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","ivacaftor-geranil monohydrate","","- C34 H48 N2 O5 -","- C34 H48 N2 O5 -","- C68 H96 N4 O10 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.125","0.0716","","","0.1801","0.2142","","","","","","1.031","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251467","10.2784","0.0014","10.5283","0.0017","15.382","0.003","76.476","0.006","85.972","0.005","89.973","0.005","1614.2","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","ivacaftor hydrochloride ethyl acetate solvate","","- C28 H37 Cl N2 O5 -","- C28 H37 Cl N2 O5 -","- C56 H74 Cl2 N4 O10 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.1177","0.0607","","","0.158","0.1943","","","","","","1.026","","","","has coordinates,has disorder","305337","2026-04-05","11:54:56",""
"7251468","24.2682","0.0007","11.0691","0.0003","18.7201","0.0005","90","","97.1082","0.0009","90","","4990.1","0.2","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","ivacaftor acetic acid solvate","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C208 H256 N16 O40 -","8","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.0699","0.0593","","","0.1745","0.1897","","","","","","1.042","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251469","6.923","0.0003","9.5568","0.0004","20.6857","0.0008","78.3703","0.0012","89.8695","0.0013","71.8961","0.0012","1271.46","0.09","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","ivacaftor ethanolamine","","- C26 H35 N3 O4 -","- C26 H35 N3 O4 -","- C52 H70 N6 O8 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.0627","0.0501","","","0.1477","0.1602","","","","","","1.062","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251470","6.721","0.002","8.395","0.002","21.299","0.007","80.462","0.012","89.652","0.013","80.149","0.012","1167.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","ivacaftor dihydrate","ivacaftor dihydrate","","- C24 H32 N2 O5 -","- C24 H32 N2 O5 -","- C48 H64 N4 O10 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.171","0.075","","","0.1356","0.1636","","","","","","1.054","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251471","7.072","0.0017","9.552","0.002","20.43","0.005","78.051","0.007","80.463","0.007","69.442","0.007","1257.7","0.5","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","ivacaftor ethylene glycol","","- C26 H34 N2 O5 -","- C26 H34 N2 O5 -","- C52 H68 N4 O10 -","2","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.1045","0.0541","","","0.1414","0.1692","","","","","","1.045","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251472","17.796","0.002","6.5459","0.0009","25.136","0.003","90","","109.131","0.007","90","","2766.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ivacaftor di acetic acid solvate","","- C28 H36 N2 O7 -","- C28 H36 N2 O7 -","- C112 H144 N8 O28 -","4","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","1.54184","CuKα","","0.0805","0.0477","","","0.1268","0.14","","","","","","1.039","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251473","28.4445","0.0015","9.0341","0.0005","10.3513","0.0004","90","","90","","90","","2660","0.2","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","ivacaftor hydrobromide acetic acid solvate","","- C26 H33 Br N2 O5 -","- C26 H33 Br N2 O5 -","- C104 H132 Br4 N8 O20 -","4","1","","Doguparthi, Naga Prathyusha; Kanagavel, Manimurugan; Samreen, Sabiqa; Navya, Yaramala; Soujanya, Yarasi; Swain, Debasish; Nechipadappu, Sunil Kumar","Crystal engineering of the cystic fibrosis drug ivacaftor: salts, solvates and hydrate forms with solubility and stability studies","CrystEngComm","2026","28","10","1621","1635","10.1039/D5CE01068C","","","0.71073","MoKα","","0.0945","0.0422","","","0.0788","0.0962","","","","","","1.025","","","","has coordinates","305337","2026-04-05","11:54:56",""
"7251474","7.201","0.003","9.608","0.004","15.507","0.008","90","","103.18","0.04","90","","1044.6","0.8","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Ag2 N4 O6 S -","- C6 H4 Ag2 N4 O6 S -","- C24 H16 Ag8 N16 O24 S4 -","4","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0255","0.0238","","","0.0636","0.0647","","","","","","1.044","","","","has coordinates","304899","2026-03-05","12:43:12",""
"7251475","3.814","0.0004","10.3541","0.001","14.2499","0.0014","92.62","0.008","95.335","0.008","94.139","0.008","558.06","0.1","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H14 Ag Cl N4 O5 Se2 -","- C20 H14 Ag Cl N4 O5 Se2 -","- C20 H14 Ag Cl N4 O5 Se2 -","1","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0972","0.0589","","","0.1334","0.1565","","","","","","1.058","","","","has coordinates,has disorder","304899","2026-03-05","12:43:13",""
"7251476","12.2862","0.0004","10.8853","0.0003","15.1578","0.0005","90","","100.846","0.003","90","","1990.98","0.11","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag2 F12 N10 Sb2 Se4 -","- C28 H22 Ag2 F12 N10 Sb2 Se4 -","- C56 H44 Ag4 F24 N20 Sb4 Se8 -","2","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","x-ray","0.71073","MoKα","","0.0294","0.0241","","","0.054","0.0566","","","","","","1.061","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251477","7.4983","0.001","9.4191","0.0012","16.203","0.002","91.584","0.01","90.423","0.01","104.261","0.01","1108.6","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H30 Ag2 Cl2 N10 O8 S4 -","- C44 H30 Ag2 Cl2 N10 O8 S4 -","- C44 H30 Ag2 Cl2 N10 O8 S4 -","1","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","x-ray","0.71073","MoKα","","0.037","0.0341","","","0.0885","0.0921","","","","","","1.055","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251478","7.4239","0.0019","13.407","0.004","20.291","0.005","107.42","0.02","98.47","0.02","93.08","0.02","1895.7","0.9","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 Ag Cl N4 O4 Se2 -","- C16 H16 Ag Cl N4 O4 Se2 -","- C64 H64 Ag4 Cl4 N16 O16 Se8 -","4","2","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.1195","0.1006","","","0.2235","0.2341","","","","","","1.184","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251479","7.1843","0.0005","9.6347","0.0004","15.7023","0.0011","90","","102.367","0.006","90","","1061.67","0.12","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Ag2 N4 O6 Se -","- C6 H4 Ag2 N4 O6 Se -","- C24 H16 Ag8 N16 O24 Se4 -","4","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.027","0.0245","","","0.0657","0.0685","","","","","","1.081","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251480","6.88","0.002","12.017","0.005","6.963","0.0019","90","","117.27","0.02","90","","511.7","0.3","120","","120","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C10 H6 Ag N3 O3 Se -","- C10 H6 Ag N3 O3 Se -","- C20 H12 Ag2 N6 O6 Se2 -","2","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0825","0.0756","","","0.1899","0.2016","","","","","","1.063","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251481","7.8775","0.0005","10.6277","0.0006","12.0636","0.0007","68.86","0.004","88.968","0.005","69.456","0.005","875.25","0.1","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H11 Ag B F4 N5 Se2 -","- C14 H11 Ag B F4 N5 Se2 -","- C28 H22 Ag2 B2 F8 N10 Se4 -","2","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0491","0.0382","","","0.0914","0.0955","","","","","","1.153","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251482","6.9919","0.0004","11.3238","0.0006","10.4854","0.0005","90","","106.456","0.004","90","","796.17","0.07","120","","120","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C12 H10 Ag B F4 N4 O S2 -","- C12 H10 Ag B F4 N4 O S2 -","- C24 H20 Ag2 B2 F8 N8 O2 S4 -","2","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0216","0.021","","","0.0545","0.0548","","","","","","1.035","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251483","7.3648","0.0008","9.9357","0.0011","11.3068","0.0014","96.414","0.009","91.408","0.009","104.754","0.009","793.87","0.16","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Ag N5 O3 Se2 -","- C14 H12 Ag N5 O3 Se2 -","- C28 H24 Ag2 N10 O6 Se4 -","2","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0347","0.0318","","","0.0849","0.0867","","","","","","1.046","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251484","6.7953","0.0004","35.947","0.002","13.5656","0.0008","90","","101.474","0.005","90","","3247.5","0.3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Ag3 N9 O9 S3 -","- C30 H18 Ag3 N9 O9 S3 -","- C120 H72 Ag12 N36 O36 S12 -","4","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0433","0.0365","","","0.0933","0.1003","","","","","","1.091","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251485","13.3558","0.0005","7.1039","0.0003","23.5974","0.0014","90","","90","","90","","2238.88","0.18","120","2","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Ag N3 O4 Se -","- C8 H10 Ag N3 O4 Se -","- C64 H80 Ag8 N24 O32 Se8 -","8","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.0847","0.0762","","","0.1916","0.2005","","","","","","1.113","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251486","7.0765","0.0018","14.922","0.003","17.437","0.003","90","","98.577","0.018","90","","1820.7","0.7","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Ag N5 O3 Se2 -","- C16 H16 Ag N5 O3 Se2 -","- C64 H64 Ag4 N20 O12 Se8 -","4","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.1405","0.1253","","","0.3444","0.3516","","","","","","1.265","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251487","7.456","0.004","21.169","0.011","11.074","0.005","90","","109.36","0.03","90","","1649","1.5","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Ag2 N10 O6 Se4 -","- C28 H24 Ag2 N10 O6 Se4 -","- C56 H48 Ag4 N20 O12 Se8 -","2","0.5","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Structural diversity of supramolecular networks composed of 2,1,3-chalcogenadiazole silver(i) complexes: the role of chalcogen bonding in molecular self–assembly","CrystEngComm","2026","28","7","1206","1214","10.1039/D5CE00963D","","","0.71073","MoKα","","0.1582","0.0887","","","0.204","0.2521","","","","","","1.022","","","","has coordinates","304899","2026-03-05","12:43:14",""
"7251488","12.7047","0.0009","8.0199","0.0005","16.4944","0.0012","90","","105.648","0.003","90","","1618.33","0.19","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","","Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K.","Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR.","CrystEngComm","2026","28","8","1339","1350","10.1039/D5CE01120E","","","0.71073","MoKα","","0.089","0.0819","","","0.2349","0.2389","","","","","","1.166","","","","has coordinates","304893","2026-03-05","12:36:33",""
"7251489","13.9971","0.0004","16.3389","0.0005","7.7318","0.0002","90","","114.482","0.001","90","","1609.26","0.08","296","2","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","","Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K.","Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR.","CrystEngComm","2026","28","8","1339","1350","10.1039/D5CE01120E","","","0.71073","MoKα","","0.0629","0.0598","","","0.1492","0.1518","","","","","","1.134","","","","has coordinates","304893","2026-03-05","12:36:33",""
"7251490","7.325","0.005","12.993","0.006","16.832","0.011","90","","90","","90","","1602","1.7","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","","Joshi, Kirthi; Sangwan, Shruti; Jose, K. V. Jovan; Agarwal, Vipin.; Nangia, Ashwini K.","Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR.","CrystEngComm","2026","28","8","1339","1350","10.1039/D5CE01120E","","","0.71073","MoKα","","0.105","0.0634","","","0.1458","0.1654","","","","","","1.018","","","","has coordinates","304893","2026-03-05","12:36:33",""
"7251491","12.8268","0.0008","12.8268","0.0008","25.8853","0.0019","90","","90","","90","","4258.8","0.5","200","","200","","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H11 N9 O4 Zn2 -","- C12 H11 N9 O4 Zn2 -","- C96 H88 N72 O32 Zn16 -","8","0.5","","Bu, Qiyi; Zhang, Yushu; Wang, Li; Liu, Jiaqi; Wang, Yong; Li, Jinping","A triazolate-based MOF with amino-induced triazolate reorientation enabling pore-size regulation for CO2/CH4 separation","CrystEngComm","2026","28","9","1485","1488","10.1039/D5CE01209K","","","1.54178","CuKα","","0.05","0.0455","","","0.1408","0.146","","","","","","1.086","","","","has coordinates","304902","2026-03-05","12:44:11",""
"7251492","7.9684","0.0003","28.1002","0.0013","7.9792","0.0004","90","","100.755","0.003","90","","1755.27","0.14","295.66","","295.66","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 O13 Pb Re2 -","- C8 H18 O13 Pb Re2 -","- C32 H72 O52 Pb4 Re8 -","4","1","","Charkin, Dmitri; Grishaev, Vasili; Kireev, Vadim; Volkov, Sergey; Arsent'ev, Maxim; Vorobiev, Stepan; Gosteva, Alevtina; Kompanchenko, Alena; Khasanov, Kirill; Krzhizhanovskaya, Maria; Aksenov, Sergey; Petříček, Václav","The first lead perrhenate crown ether complex [Pb(12-crown-4)(H2O)(ReO4)2]: from rotation of the ReO4 tetrahedra in the (3 + 1)D space using constrained Legendre functions to rotation in the 3D space","CrystEngComm","2026","28","5","1000","1007","10.1039/D5CE01087J","","x-ray","0.71073","MoKα","","0.0688","0.0401","","","0.0374","0.0406","","","","1.8052","1.8052","1.6408","","","","has coordinates","304270","2026-02-12","22:12:58",""
"7251493","7.8703","0.0007","9.391","0.001","11.0106","0.0011","72.161","0.002","78.64","0.004","84.085","0.003","758.69","0.13","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 N2 O6 -","- C13 H21 N2 O6 -","- C26 H42 N4 O12 -","2","1","","Zhang, Jing; Feng, Yi; Cao, Yun-Dong; Fan, Lin-Lin; Lv, Cai-Li; Cheng, Lei; Gao, Guang-Gang; Liu, Hong","Solvated pyromellitic acid-modified separator for stable lithium metal anodes and high-performance Li–S batteries","CrystEngComm","2026","28","6","1135","1146","10.1039/D5CE01148E","","","0.71073","MoKα","","0.1047","0.1041","","","0.2555","0.2563","","","","","","1.133","","","","has coordinates","304271","2026-02-12","22:13:29",""
"7251494","5.1128","0.0008","6.7751","0.0011","27.331","0.005","90","","90","","90","","946.7","0.3","105","2","104.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 F2 N O -","- C10 H11 F2 N O -","- C40 H44 F8 N4 O4 -","4","1","","Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak","Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments","CrystEngComm","2026","28","9","1494","1507","10.1039/D5CE00838G","","x-ray","0.71073","MoKα","","0.058","0.0394","","","0.0786","0.0844","","","","","","1.036","","","","has coordinates","304903","2026-03-05","12:44:25",""
"7251495","5.1799","0.0014","9.618","0.003","10.442","0.003","81.822","0.009","80.772","0.009","74.442","0.009","492","0.2","94","2","94","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 F2 N O -","- C10 H11 F2 N O -","- C20 H22 F4 N2 O2 -","2","1","","Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak","Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments","CrystEngComm","2026","28","9","1494","1507","10.1039/D5CE00838G","","x-ray","0.71073","MoKα","","0.1221","0.0548","","","0.1181","0.14","","","","","","1.047","","","","has coordinates,has disorder","304903","2026-03-05","12:44:25",""
"7251496","12.0624","0.0007","9.4612","0.0006","8.6588","0.0004","90","","90","","90","","988.18","0.1","103","2","103","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H11 F2 N O -","- C10 H11 F2 N O -","- C40 H44 F8 N4 O4 -","4","1","","Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak","Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments","CrystEngComm","2026","28","9","1494","1507","10.1039/D5CE00838G","","x-ray","0.71073","MoKα","","0.0519","0.0408","","","0.0989","0.1038","","","","","","1.044","","","","has coordinates","304903","2026-03-05","12:44:25",""
"7251497","9.51","0.0011","11.0959","0.0013","19.198","0.002","90","","102.991","0.004","90","","1974","0.4","102","2","102.4","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 F4 N2 O2 -","- C20 H22 F4 N2 O2 -","- C80 H88 F16 N8 O8 -","4","1","","Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak","Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments","CrystEngComm","2026","28","9","1494","1507","10.1039/D5CE00838G","","x-ray","0.71073","MoKα","","0.0917","0.0477","","","0.0998","0.1156","","","","","","1.03","","","","has coordinates","304903","2026-03-05","12:44:25",""
"7251498","6.8391","0.0003","11.2218","0.0005","13.7253","0.0006","90","","90","","90","","1053.38","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O6 S -","- C8 H13 N O6 S -","- C32 H52 N4 O24 S4 -","4","1","","García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study","CrystEngComm","2026","28","5","951","961","10.1039/D5CE01136A","","","1.54178","CuKα","","0.0271","0.0271","","","0.0677","0.0677","","","","","","1.123","","","","has coordinates","304274","2026-02-12","22:14:16",""
"7251499","8.1875","0.0005","8.7569","0.0005","9.8704","0.0006","94.856","0.002","103.393","0.002","103.024","0.002","663.7","0.07","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Cl2 Cu N6 O8 -","- C22 H34 Cl2 Cu N6 O8 -","- C22 H34 Cl2 Cu N6 O8 -","1","0.5","","García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study","CrystEngComm","2026","28","5","951","961","10.1039/D5CE01136A","","","0.71073","MoKα","","0.0222","0.0222","","","0.0583","0.0584","","","","","","1.087","","","","has coordinates","304274","2026-02-12","22:14:17",""
"7251500","51.723","0.003","7.3982","0.0004","13.4262","0.0008","90","","97.297","0.002","90","","5096","0.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7.33 H11.33 Cl0.67 N2 O2.33 -","- C7.33333 H11.3333 Cl0.666667 N2 O2.33333 -","- C176 H272 Cl16 N48 O56 -","24","3","","García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study","CrystEngComm","2026","28","5","951","961","10.1039/D5CE01136A","","","0.71073","MoKα","","0.0418","0.0389","","","0.1005","0.1025","","","","","","1.131","","","","has coordinates","304274","2026-02-12","22:14:17",""
"7251501","7.0597","0.0009","8.8765","0.0011","11.2263","0.0014","89.195","0.004","88.506","0.004","68.574","0.004","654.65","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N3 O6 -","- C12 H17 N3 O6 -","- C24 H34 N6 O12 -","2","1","","García-Raso, Ángel; Rocha, Mariana; Terrón, Ángel; Fiol, Juan J.; López-Zafra, Adela; Rodríguez, Carlos A.; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","The crucial role of lattice water in directing supramolecular networks of deferiprone analogues: a combined X-ray and DFT study","CrystEngComm","2026","28","5","951","961","10.1039/D5CE01136A","","","1.54178","CuKα","","0.053","0.0525","","","0.14","0.1405","","","","","","1.137","","","","has coordinates","304274","2026-02-12","22:14:17",""
"7251502","14.9208","0.0003","7.0913","0.0001","20.9159","0.0004","90","","97.395","0.001","90","","2194.66","0.07","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br2 Cl5 I2 N2 Sb -","- C10 H10 Br2 Cl5 I2 N2 Sb -","- C40 H40 Br8 Cl20 I8 N8 Sb4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds","CrystEngComm","2026","28","7","1197","1205","10.1039/D5CE01065A","","","0.71073","MoKα","","0.0569","0.0335","","","0.0598","0.0657","","","","","","1.025","","","","has coordinates","304898","2026-03-05","12:42:50",""
"7251503","14.5435","0.0003","7.1608","0.0002","20.82","0.0004","90","","96.131","0.001","90","","2155.86","0.09","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl7 I2 N2 Sb -","- C10 H10 Cl7 I2 N2 Sb -","- C40 H40 Cl28 I8 N8 Sb4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds","CrystEngComm","2026","28","7","1197","1205","10.1039/D5CE01065A","","","0.71073","MoKα","","0.0466","0.0324","","","0.0526","0.0579","","","","","","1.057","","","","has coordinates","304898","2026-03-05","12:42:51",""
"7251504","14.89","0.0005","7.1531","0.0002","20.9598","0.0007","90","","98.109","0.001","90","","2210.1","0.12","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Bi Br2 Cl5 I2 N2 -","- C10 H10 Bi Br2 Cl5 I2 N2 -","- C40 H40 Bi4 Br8 Cl20 I8 N8 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds","CrystEngComm","2026","28","7","1197","1205","10.1039/D5CE01065A","","","0.71073","MoKα","","0.0487","0.0324","","","0.057","0.0606","","","","","","1.036","","","","has coordinates","304898","2026-03-05","12:42:51",""
"7251505","14.5781","0.0002","7.2057","0.0001","20.8721","0.0004","90","","97.312","0.001","90","","2174.69","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Bi Cl7 I2 N2 -","- C10 H10 Bi Cl7 I2 N2 -","- C40 H40 Bi4 Cl28 I8 N8 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Supramolecular diiodo-chlorometalates(iii) of group 15 elements with halogen-substituted pyridiniums: an interplay of cation⋯anion and I2⋯halometalate halogen bonds","CrystEngComm","2026","28","7","1197","1205","10.1039/D5CE01065A","","","0.71073","MoKα","","0.0396","0.0274","","","0.0512","0.0544","","","","","","1.029","","","","has coordinates","304898","2026-03-05","12:42:51",""
"7251506","14.665","0.002","10.8323","0.0015","15.619","0.002","90","","105.691","0.016","90","","2388.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cd2 Cl4 N5 O -","- C19 H21 Cd2 Cl4 N5 O -","- C76 H84 Cd8 Cl16 N20 O4 -","4","1","","Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie","Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds","CrystEngComm","2026","28","3","748","761","10.1039/D5CE01077B","","","0.71073","MoKα","","0.1154","0.0667","","","0.1391","0.1776","","","","","","1.004","","","","has coordinates","304276","2026-02-12","22:15:21",""
"7251507","10.201","0.0006","9.3121","0.0005","18.5118","0.0011","90","","98.526","0.005","90","","1739.05","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cd3 Cl6 N8 -","- C30 H24 Cd3 Cl6 N8 -","- C60 H48 Cd6 Cl12 N16 -","2","0.5","","Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie","Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds","CrystEngComm","2026","28","3","748","761","10.1039/D5CE01077B","","x-ray","0.71073","MoKα","","0.0733","0.0412","","","0.0868","0.1055","","","","","","1.14","","","","has coordinates","304276","2026-02-12","22:15:21",""
"7251508","27.4056","0.0007","10.3739","0.0003","16.0893","0.0005","90","","93.455","0.003","90","","4565.9","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cd N7 O7 -","- C19 H21 Cd N7 O7 -","- C152 H168 Cd8 N56 O56 -","8","2","","Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie","Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds","CrystEngComm","2026","28","3","748","761","10.1039/D5CE01077B","","","0.71073","MoKα","","0.1244","0.1142","","","0.2984","0.3035","","","","","","1.193","","","","has coordinates","304276","2026-02-12","22:15:21",""
"7251509","10.3394","0.0002","15.8855","0.0002","27.2314","0.0004","90","","90","","90","","4472.66","0.12","300.55","0.1","300.55","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cd N7 O7 -","- C18 H19 Cd N7 O7 -","- C144 H152 Cd8 N56 O56 -","8","1","","Liu, Tong; Jing, Xue-Mei; Chen, Jia-Li; Ding, Xue-Yao; Han, Song-De; Xue, Zhen-Zhen; Huang, Hong-Hua; Pan, Jie","Room temperature phosphorescence and photochromism in a series of pyridine-based hybrid compounds","CrystEngComm","2026","28","3","748","761","10.1039/D5CE01077B","","x-ray","1.54184","CuKα","","0.0426","0.0365","","","0.0979","0.1025","","","","","","1.0385","","","","has coordinates","304276","2026-02-12","22:15:21",""
"7251510","5.2167","0.0009","16.333","0.003","8.1547","0.0013","90","","98.052","0.005","90","","688","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 O6 Zn -","- C5 H5 O6 Zn -","- C20 H20 O24 Zn4 -","4","1","","Vakil, Farhat; Aldauij, Omar K.; Afzal, Asif; Kumar, Manjeet; Ansari, Azaj; Shahid, M.; Abdelrahman, Ehab A.","A Zn-based MOF with honeycomb topology for highly efficient iodine uptake from vapor and liquid phases: synthesis, crystal structure, topology and dual-phase sorption performance","CrystEngComm","2026","28","6","1147","1162","10.1039/D6CE00010J","","","0.71073","MoKα","","0.0244","0.0224","","","0.0581","0.0594","","","","","","1.0535","","","","has coordinates","304277","2026-02-12","22:15:41",""
"7251511","9.6784","0.0003","10.806","0.0003","17.5157","0.0005","77.538","0.002","78.893","0.002","78.392","0.002","1730.68","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H34 N6 O7 -","- C43 H34 N6 O7 -","- C86 H68 N12 O14 -","2","1","","Wzgarda-Raj, Kinga","Supramolecular interactions and aromaticity in phenazine–hydroxybenzoic acid co-crystals","CrystEngComm","2026","28","11","1791","1800","10.1039/D5CE01177A","","","1.54184","CuKα","","0.0855","0.0738","","","0.2015","0.2078","","","","","","1.057","","","","has coordinates","305348","2026-04-05","11:59:28",""
"7251512","8.6222","0.0002","16.8759","0.0004","20.4571","0.0005","69.73","0.002","83.52","0.002","80.248","0.002","2747.24","0.12","99.96","0.18","99.96","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C69 H50 N8 O9 -","- C69 H50 N8 O9 -","- C138 H100 N16 O18 -","2","1","","Wzgarda-Raj, Kinga","Supramolecular interactions and aromaticity in phenazine–hydroxybenzoic acid co-crystals","CrystEngComm","2026","28","11","1791","1800","10.1039/D5CE01177A","","x-ray","1.54184","CuKα","","0.0788","0.0702","","","0.2002","0.2118","","","","","","1.071","","","","has coordinates","305348","2026-04-05","11:59:28",""
"7251513","5.854","0.0001","16.7182","0.0004","9.2006","0.0002","90","","101.171","0.0008","90","","883.39","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N4 O4 -","- C7 H10 N4 O4 -","- C28 H40 N16 O16 -","4","1","","Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.","Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems","CrystEngComm","2026","28","6","1115","1124","10.1039/D5CE01073J","","","0.71073","MoKα","","0.0425","0.039","","","0.1082","0.1113","","","","","","1.071","","","","has coordinates","304279","2026-02-12","22:16:28",""
"7251514","13.6261","0.0003","7.1632","0.0001","18.3896","0.0003","90","","90","","90","","1794.94","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H10 N4 O4 -","- C7 H10 N4 O4 -","- C56 H80 N32 O32 -","8","1","","Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.","Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems","CrystEngComm","2026","28","6","1115","1124","10.1039/D5CE01073J","","","0.71073","MoKα","","0.0378","0.0355","","","0.0942","0.0961","","","","","","1.074","","","","has coordinates","304279","2026-02-12","22:16:28",""
"7251515","7.2682","0.0003","7.4476","0.0003","15.3478","0.0006","89.808","0.002","77.703","0.002","65.604","0.001","735.9","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N8 O8 -","- C10 H14 N8 O8 -","- C20 H28 N16 O16 -","2","1","","Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.","Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems","CrystEngComm","2026","28","6","1115","1124","10.1039/D5CE01073J","","","0.71073","MoKα","","0.0447","0.0382","","","0.0974","0.101","","","","","","1.055","","","","has coordinates","304279","2026-02-12","22:16:28",""
"7251516","6.2828","0.0004","7.0513","0.0004","14.9231","0.0008","85.761","0.002","88.382","0.002","65.266","0.002","598.83","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N8 O4 -","- C10 H10 N8 O4 -","- C20 H20 N16 O8 -","2","1","","Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.","Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems","CrystEngComm","2026","28","6","1115","1124","10.1039/D5CE01073J","","","0.71073","MoKα","","0.085","0.0581","","","0.1445","0.1562","","","","","","1.112","","","","has coordinates","304279","2026-02-12","22:16:29",""
"7251517","20.1096","0.0008","6.5746","0.0003","20.4108","0.0008","90","","102.085","0.0014","90","","2638.76","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N5 O4 -","- C12 H15 N5 O4 -","- C96 H120 N40 O32 -","8","2","","Churakov, Andrei V.; Mikhaylov, Alexey A.; Mel'nik, Elena A.; Egorov, Pavel A.; Lev, Ovadia; Medvedev, Alexander G.; Prikhodchenko, Petr V.","Peroxosolvates of purine derivatives: structural insights into possible H2O2-purine interactions in biological systems","CrystEngComm","2026","28","6","1115","1124","10.1039/D5CE01073J","","","0.71073","MoKα","","0.061","0.0481","","","0.1086","0.1148","","","","","","1.109","","","","has coordinates,has disorder","304279","2026-02-12","22:16:29",""
"7251518","46.4009","0.0019","6.3419","0.0002","22.613","0.0009","90","","91.963","0.001","90","","6650.4","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C84 H68 Cd3 N2 O16 -","- C84 H68 Cd3 N2 O16 -","- C336 H272 Cd12 N8 O64 -","4","1","","Luo, Yuqian; Lu, Yongyang; Wu, Ziqiang; Ye, Chunyin; Zhang, ChuanLei","Flexible-functionalized Cd-MOFs for photocatalytic CO2 reduction: tuning framework flexibility via ligand design","CrystEngComm","2026","28","4","912","918","10.1039/D5CE00937E","","","0.71073","MoKα","","0.0322","0.0307","","","0.0741","0.0752","","","","","","1.021","","","","has coordinates","304280","2026-02-12","22:17:12",""
"7251519","8.3514","0.0008","8.029","0.0007","10.685","0.001","90","","102.056","0.003","90","","700.66","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 Cu N12 O8 -","- C4 H14 Cu N12 O8 -","- C8 H28 Cu2 N24 O16 -","2","0.5","","Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan","MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis","CrystEngComm","2026","28","12","1931","1937","10.1039/D5CE01001B","","","0.71073","MoKα","","0.0388","0.0283","","","0.0718","0.0759","","","","","","1.066","","","","has coordinates","305349","2026-04-05","11:59:42",""
"7251520","4.8266","0.0004","21.9823","0.0018","6.3898","0.0005","90","","106.562","0.002","90","","649.83","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H2 Ag N7 O2 -","- C3 H2 Ag N7 O2 -","- C12 H8 Ag4 N28 O8 -","4","1","","Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan","MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis","CrystEngComm","2026","28","12","1931","1937","10.1039/D5CE01001B","","","0.71073","MoKα","","0.0441","0.0398","","","0.0791","0.0806","","","","","","1.163","","","","has coordinates","305349","2026-04-05","11:59:42",""
"7251521","8.0601","0.0004","9.1901","0.0005","10.8846","0.0006","90","","91.301","0.002","90","","806.05","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cu N14 O8 -","- C6 H12 Cu N14 O8 -","- C12 H24 Cu2 N28 O16 -","2","0.5","","Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan","MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis","CrystEngComm","2026","28","12","1931","1937","10.1039/D5CE01001B","","","0.71073","MoKα","","0.0394","0.0281","","","0.0701","0.075","","","","","","1.035","","","","has coordinates","305349","2026-04-05","11:59:42",""
"7251522","4.8588","0.0003","8.3454","0.0004","13.9313","0.0007","90","","93.658","0.002","90","","563.74","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H3 Ag N6 O2 -","- C2 H3 Ag N6 O2 -","- C8 H12 Ag4 N24 O8 -","4","1","","Yang, Feng; He, Zhiwei; Zhang, Rongzheng; Wang, Quan","MOFs with hydrazide and 3-amino-1,2,4-oxadiazole-substituted hydroxytetrazole as novel nitrogen-rich ligands: a new class of energetic materials for ammonium perchlorate decomposition catalysis","CrystEngComm","2026","28","12","1931","1937","10.1039/D5CE01001B","","","0.71073","MoKα","","0.0319","0.0259","","","0.057","0.0593","","","","","","1.08","","","","has coordinates","305349","2026-04-05","11:59:42",""
"7251523","9.7827","0.0004","11.0949","0.0005","12.8327","0.0006","64.981","0.002","77.088","0.002","85.954","0.002","1229.78","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H18 Cl N13 O7 Pb2 S2 -","- C13 H18 Cl N13 O7 Pb2 S2 -","- C26 H36 Cl2 N26 O14 Pb4 S4 -","2","1","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Iglesias-Pereiro, Tamara; Castiñeiras, Alfonso; Gurbanov, Atash V.; Tutar, Ömer Faruk; Zangrando, Ennio; Panova, Elizaveta V.; Frontera, Antonio; Safin, Damir A.","A lead(ii) supramolecular coordination polymer, obtained from polydonor N′-(amino(pyrazin-2-yl)methylene)thiosemicarbazide, stabilized by tetrel bonds and other non-covalent interactions","CrystEngComm","2026","28","8","1383","1393","10.1039/D6CE00003G","","","0.71073","MoKα","","0.0197","0.0149","","","0.0272","0.0284","","","","","","1.064","","","","has coordinates","304895","2026-03-05","12:37:05",""
"7251524","6.9004","0.0001","10.0094","0.0002","13.4169","0.0002","69.587","0.001","85.819","0.001","89.459","0.001","866.06","0.03","173","","173","","","","","","","","","6","P 1","P 1","1","","","","- C23 H42 N7 Ni O19 P -","- C23 H42 N7 Ni O19 P -","- C23 H42 N7 Ni O19 P -","1","1","","Lv, Jialin; Shan, Penghua; Lan, Ruoning; Zhu, Yirui; Hu, Qian; Li, Zhongkui; Han, Ju; Lian, Zeyu; Zhu, Yanhong","Controllable construction of base pairing and chirality study in supramolecular assemblies based on guanine nucleotides","CrystEngComm","2026","28","7","1286","1298","10.1039/D5CE00978B","","","1.54178","CuKα","","0.0802","0.0696","","","0.1973","0.2263","","","","","","1.152","","","","has coordinates,has disorder","304901","2026-03-05","12:43:59",""
"7251525","7.0184","0.0004","10.1341","0.0006","13.6387","0.0008","70.336","0.002","88.826","0.002","88.08","0.002","912.93","0.09","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C22 H46 Mn N7 O20 P -","- C22 H46 Mn N7 O20 P -","- C22 H46 Mn N7 O20 P -","1","1","","Lv, Jialin; Shan, Penghua; Lan, Ruoning; Zhu, Yirui; Hu, Qian; Li, Zhongkui; Han, Ju; Lian, Zeyu; Zhu, Yanhong","Controllable construction of base pairing and chirality study in supramolecular assemblies based on guanine nucleotides","CrystEngComm","2026","28","7","1286","1298","10.1039/D5CE00978B","","","0.71073","MoKα","","0.1433","0.0725","","","0.1682","0.2031","","","","","","0.977","","","","has coordinates","304901","2026-03-05","12:43:59",""
"7251526","11.4237","0.0018","7.386","0.0011","26.548","0.004","90","","100.864","0.005","90","","2199.9","0.6","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H52 N12 O23 P2 -","- C32 H52 N12 O23 P2 -","- C64 H104 N24 O46 P4 -","2","1","","Lv, Jialin; Shan, Penghua; Lan, Ruoning; Zhu, Yirui; Hu, Qian; Li, Zhongkui; Han, Ju; Lian, Zeyu; Zhu, Yanhong","Controllable construction of base pairing and chirality study in supramolecular assemblies based on guanine nucleotides","CrystEngComm","2026","28","7","1286","1298","10.1039/D5CE00978B","","","0.71073","MoKα","","0.1062","0.0521","","","0.1029","0.122","","","","","","0.993","","","","has coordinates","304901","2026-03-05","12:43:59",""
"7251527","9.4392","0.0008","10.4331","0.0009","14.5148","0.0013","76.969","0.002","85.423","0.002","66.14","0.002","1273.49","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 Ag N4 O9 -","- C28 H19 Ag N4 O9 -","- C56 H38 Ag2 N8 O18 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.1253","0.0592","","","0.1095","0.1325","","","","","","1.01","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251528","12.779","0.002","7.1294","0.0014","13.218","0.002","90","","93.331","0.004","90","","1202.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Ag N2 O5 -","- C12 H9 Ag N2 O5 -","- C48 H36 Ag4 N8 O20 -","4","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0441","0.0415","","","0.1077","0.1087","","","","","","1.163","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251529","9.096","0.002","9.557","0.002","15.651","0.004","76.424","0.008","80.583","0.008","84.483","0.008","1302.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Ag N4 O8 -","- C26 H25 Ag N4 O8 -","- C52 H50 Ag2 N8 O16 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0669","0.044","","","0.1037","0.115","","","","","","1.052","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251530","9.4624","0.0019","11.7312","0.0019","19.16","0.003","95.359","0.006","95.325","0.007","106.993","0.007","2008.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 Ag2 N8 O12 -","- C37 H36 Ag2 N8 O12 -","- C74 H72 Ag4 N16 O24 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.1473","0.0596","","","0.1241","0.1557","","","","","","1.003","","","","has coordinates,has disorder","305346","2026-04-05","11:59:14",""
"7251531","8.5629","0.0016","25.199","0.005","10.864","0.002","90","","93.17","0.006","90","","2340.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Ag N4 O7 -","- C24 H19 Ag N4 O7 -","- C96 H76 Ag4 N16 O28 -","4","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0701","0.0367","","","0.0618","0.0699","","","","","","1.02","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251532","8.6861","0.0019","8.914","0.002","11.391","0.003","84.881","0.007","70.317","0.005","70.793","0.005","784","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Ag N2 O7 -","- C16 H12 Ag N2 O7 -","- C32 H24 Ag2 N4 O14 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0344","0.0305","","","0.0767","0.0792","","","","","","1.071","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251533","10.8579","0.0015","12.1551","0.0015","13.0789","0.0016","78.82","0.004","85.334","0.005","78.078","0.005","1655.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 Ag2 N6 O12 -","- C30 H31 Ag2 N6 O12 -","- C60 H62 Ag4 N12 O24 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0974","0.0591","","","0.1201","0.1446","","","","","","1.053","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251534","9.627","0.006","10.094","0.007","31.171","0.018","85.529","0.016","85.355","0.017","63.937","0.016","2709","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H45 Ag5 N8 O21 -","- C46 H43 Ag5 N8 O21 -","- C92 H86 Ag10 N16 O42 -","2","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0432","0.0364","","","0.0949","0.0984","","","","","","1.072","","","","has coordinates,has disorder","305346","2026-04-05","11:59:14",""
"7251535","11.277","0.002","11.398","0.002","21.089","0.004","90","","91.707","0.005","90","","2709.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Ag N4 O12 -","- C24 H29 Ag N4 O12 -","- C96 H116 Ag4 N16 O48 -","4","1","","Shen, Yi-Lin; Liu, Chia-Li; Tai, Hsun-Chih; Chen, Zhi-Ling; Chen, Jhy-Der","Structure-directing roles of polycarboxylate anions in the formation of Ag(i) coordination polymers with mixed ligands","CrystEngComm","2026","28","11","1801","1811","10.1039/D5CE01151E","","","0.71073","MoKα","","0.0353","0.0306","","","0.0819","0.0849","","","","","","1.048","","","","has coordinates","305346","2026-04-05","11:59:14",""
"7251536","8.3139","0.0015","12.128","0.002","19.032","0.003","90","","94.887","0.002","90","","1912","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N^'^-(1,4-phenylenedimethylidyne)bis(2-trifluoromethyl)benzenamine","","- C22 H14 F6 N2 -","- C22 H14 F6 N2 -","- C88 H56 F24 N8 -","4","1","","Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H.","Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines","CrystEngComm","2026","28","4","849","861","10.1039/D5CE01058F","","","0.71073","MoKα","","0.0587","0.0398","","","0.09","0.0974","","","","","","1.034","","","","has coordinates","304285","2026-02-12","22:20:23",""
"7251537","14.9937","0.0012","7.5042","0.0006","16.9077","0.0013","90","","100.858","0.001","90","","1868.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N^'^-(1,4-phenylenedimethylidyne)bis(4-trifluoromethyl)benzenamine","","- C22 H14 F6 N2 -","- C22 H14 F6 N2 -","- C88 H56 F24 N8 -","4","1","","Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H.","Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines","CrystEngComm","2026","28","4","849","861","10.1039/D5CE01058F","","","0.71073","MoKα","","0.0584","0.0455","","","0.1156","0.1272","","","","","","1.042","","","","has coordinates,has disorder","304285","2026-02-12","22:20:23",""
"7251538","12.786","0.003","4.7478","0.001","14.494","0.003","90","","96.023","0.002","90","","875","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N^'^-(1,4-phenylenedimethylidyne)bis(3-trifluoromethyl)benzenamine","","- C22 H14 F6 N2 -","- C22 H14 F6 N2 -","- C44 H28 F12 N4 -","2","0.5","","Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H.","Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines","CrystEngComm","2026","28","4","849","861","10.1039/D5CE01058F","","","0.71073","MoKα","","0.0425","0.0356","","","0.09","0.0954","","","","","","1.063","","","","has coordinates","304285","2026-02-12","22:20:23",""
"7251539","12.5991","0.0011","4.8277","0.0004","14.9975","0.0013","90","","98.831","0.003","90","","901.4","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^1^,N^4^-bis[[3-(trifluoromethyl)phenyl]methylene]-1,4-benzenediamine","","- C22 H14 F6 N2 -","- C22 H14 F6 N2 -","- C44 H28 F12 N4 -","2","0.5","","Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H.","Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines","CrystEngComm","2026","28","4","849","861","10.1039/D5CE01058F","","","0.71073","MoKα","","0.0507","0.0394","","","0.0976","0.1051","","","","","","1.046","","","","has coordinates","304285","2026-02-12","22:20:23",""
"7251540","4.9998","0.001","12.277","0.002","14.928","0.003","90","","92.252","0.003","90","","915.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^1^,N^4^-bis[[2-(trifluoromethyl)phenyl]methylene]-1,4-benzenediamine","","- C22 H14 F6 N2 -","- C22 H14 F6 N2 -","- C44 H28 F12 N4 -","2","0.5","","Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H.","Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines","CrystEngComm","2026","28","4","849","861","10.1039/D5CE01058F","","","0.71073","MoKα","","0.0543","0.0369","","","0.0939","0.1012","","","","","","1.095","","","","has coordinates","304285","2026-02-12","22:20:23",""
"7251541","9.0084","0.0003","9.1333","0.0003","10.0681","0.0003","101.022","0.0011","113.051","0.001","100.435","0.001","717.49","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","9,9'-peroxybis(9-(4-chlorophenyl)-9H-xanthene)","","- C38 H24 Cl2 O4 -","- C38 H24 Cl2 O4 -","- C38 H24 Cl2 O4 -","1","0.5","","Barton, Benita; Vorgers, Jarryd A.; Hosten, Eric C.","Extremely efficient host selectivity behaviour of stable di-(9-(p-chlorophenyl)xanthen-9-yl) peroxide towards ortho-xylene when crystallized from mixtures of the C8H10 aromatic fraction of crude oil","CrystEngComm","2026","28","10","1658","1668","10.1039/D6CE00042H","","","0.71073","MoKα","","0.0527","0.0418","","","0.0962","0.1087","","","","","","1.05","","","","has coordinates","305338","2026-04-05","11:55:03",""
"7251542","9.4967","0.0003","9.964","0.0004","11.4322","0.0004","64.5859","0.0012","75.1697","0.0012","65.7342","0.0011","886.59","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","1(9,9'-peroxybis(9-(4-chlorophenyl)-9H-xanthene)):1(O xylene)","","- C46 H34 Cl2 O4 -","- C46 H34 Cl2 O4 -","- C46 H34 Cl2 O4 -","1","0.5","","Barton, Benita; Vorgers, Jarryd A.; Hosten, Eric C.","Extremely efficient host selectivity behaviour of stable di-(9-(p-chlorophenyl)xanthen-9-yl) peroxide towards ortho-xylene when crystallized from mixtures of the C8H10 aromatic fraction of crude oil","CrystEngComm","2026","28","10","1658","1668","10.1039/D6CE00042H","","","0.71073","MoKα","","0.0498","0.038","","","0.0867","0.0984","","","","","","1.067","","","","has coordinates,has disorder","305338","2026-04-05","11:55:03",""
"7251543","10.3526","0.0004","10.677","0.0004","10.885","0.0004","111.158","0.001","95.138","0.001","102.671","0.001","1075.75","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","(9,9'-peroxybis(9-(4-chlorophenyl)-9H-xanthene)):2(p xylene)","","- C54 H44 Cl2 O4 -","- C54 H44 Cl2 O4 -","- C54 H44 Cl2 O4 -","1","0.5","","Barton, Benita; Vorgers, Jarryd A.; Hosten, Eric C.","Extremely efficient host selectivity behaviour of stable di-(9-(p-chlorophenyl)xanthen-9-yl) peroxide towards ortho-xylene when crystallized from mixtures of the C8H10 aromatic fraction of crude oil","CrystEngComm","2026","28","10","1658","1668","10.1039/D6CE00042H","","","0.71073","MoKα","","0.0607","0.0433","","","0.0964","0.1112","","","","","","1.053","","","","has coordinates","305338","2026-04-05","11:55:03",""
"7251544","10.9858","0.0006","11.9858","0.0006","13.2917","0.0007","84.1988","0.0019","82.2922","0.0019","62.8753","0.0017","1542.02","0.14","135.8","","135.8","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cl2 N2 O6 -","- C34 H32 Cl2 N2 O6 -","- C68 H64 Cl4 N4 O12 -","2","1","","Amarne, Hazem; Stirk, Alexander J.; O'Keefe, Christopher A.; Schurko, Robert W.; Loeb, Stephen J.","A dynamic pcu MOF(Zn) containing a ditopic T-shaped [2]rotaxane linker","CrystEngComm","2026","28","3","631","634","10.1039/D5CE01108F","","","0.71073","MoKα","","0.0657","0.0472","","","0.1053","0.1173","","","","","","1.0495","","","","has coordinates","304287","2026-02-12","22:21:44",""
"7251545","25.8311","0.0005","25.8311","0.0005","44.9688","0.0014","90","","90","","120","","25985.3","1.1","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C282 H342 N12 O75 Zn6 -","- C282 H342.02 N12 O75 Zn6 -","- C846 H1026.06 N36 O225 Zn18 -","3","0.166667","","Amarne, Hazem; Stirk, Alexander J.; O'Keefe, Christopher A.; Schurko, Robert W.; Loeb, Stephen J.","A dynamic pcu MOF(Zn) containing a ditopic T-shaped [2]rotaxane linker","CrystEngComm","2026","28","3","631","634","10.1039/D5CE01108F","","","1.54178","CuKα","","0.1257","0.1224","","","0.3411","0.3494","","","","","","1.774","","","","has coordinates","304287","2026-02-12","22:21:45",""
"7251546","12.1185","0.0003","12.6366","0.0003","16.8865","0.0003","97.8567","0.0014","101.651","0.0014","106.452","0.0014","2376.66","0.1","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H66 N2 O12 -","- C51 H66 N2 O12 -","- C102 H132 N4 O24 -","2","1","","Amarne, Hazem; Stirk, Alexander J.; O'Keefe, Christopher A.; Schurko, Robert W.; Loeb, Stephen J.","A dynamic pcu MOF(Zn) containing a ditopic T-shaped [2]rotaxane linker","CrystEngComm","2026","28","3","631","634","10.1039/D5CE01108F","","","1.54178","CuKα","","0.1015","0.0587","","","0.1142","0.1333","","","","","","1.0556","","","","has coordinates","304287","2026-02-12","22:21:45",""
"7251547","18.7063","0.0009","6.3312","0.0003","20.0829","0.0009","90","","106.413","0.002","90","","2281.56","0.19","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H42 Cl2 N2 O6 -","- C20 H42 Cl2 N2 O6 -","- C80 H168 Cl8 N8 O24 -","4","1","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0578","0.0427","","","0.0917","0.1014","","","","","","1.022","","","","has coordinates","304900","2026-03-05","12:43:30",""
"7251548","11.1837","0.0004","5.9656","0.0002","11.0793","0.0004","90","","98.964","0.001","90","","730.15","0.04","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H12 Cl2 N2 O1.87 -","- C2 H12 Cl2 N2 O1.871 -","- C8 H48 Cl8 N8 O7.484 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0253","0.0221","","","0.0581","0.0598","","","","","","1.175","","","","has coordinates,has disorder","304900","2026-03-05","12:43:31",""
"7251549","9.7834","0.0006","9.3257","0.0006","10.6627","0.0007","90","","98.935","0.002","90","","961.03","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 Cl2 N2 O2 -","- C6 H16 Cl2 N2 O2 -","- C24 H64 Cl8 N8 O8 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0352","0.0297","","","0.0683","0.0718","","","","","","1.044","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251550","10.7011","0.0009","6.1485","0.0007","13.6061","0.0015","90","","111.074","0.003","90","","835.35","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Cl2 N2 O2 -","- C4 H14 Cl2 N2 O2 -","- C16 H56 Cl8 N8 O8 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0374","0.0297","","","0.0586","0.0634","","","","","","1.039","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251551","6.7122","0.0005","11.2178","0.0009","14.5863","0.0012","78.253","0.002","78.616","0.002","87.474","0.003","1054.13","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H38 Cl2 N2 O2 -","- C20 H38 Cl2 N2 O2 -","- C40 H76 Cl4 N4 O4 -","2","1","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0456","0.0396","","","0.1039","0.1078","","","","","","1.06","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251552","7.3636","0.0004","11.0879","0.0006","6.0534","0.0003","90","","99.808","0.002","90","","487.02","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cl2 N2 O4 -","- C4 H16 Cl2 N2 O4 -","- C8 H32 Cl4 N4 O8 -","2","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0226","0.0197","","","0.0491","0.0502","","","","","","1.059","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251553","11.231","0.002","5.985","0.0013","11.134","0.002","90","","98.835","0.003","90","","739.5","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H12 Cl2 N2 O2 -","- C2 H12 Cl2 N2 O2 -","- C8 H48 Cl8 N8 O8 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0251","0.0234","","","0.0659","0.0669","","","","","","1.123","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251554","10.479","0.001","6.1798","0.0006","13.515","0.0016","90","","109.635","0.003","90","","824.31","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Cl2 N2 O1.38 -","- C4 H14 Cl2 N2 O1.383 -","- C16 H56 Cl8 N8 O5.532 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0309","0.0251","","","0.0542","0.0567","","","","","","1.14","","","","has coordinates,has disorder","304900","2026-03-05","12:43:31",""
"7251555","10.6313","0.0007","6.1567","0.0004","13.5716","0.0012","90","","110.665","0.002","90","","831.16","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Cl2 N2 O1.73 -","- C4 H14 Cl2 N2 O1.731 -","- C16 H56 Cl8 N8 O6.924 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0256","0.0224","","","0.0514","0.0528","","","","","","1.117","","","","has coordinates,has disorder","304900","2026-03-05","12:43:31",""
"7251556","11.1916","0.0009","6.2618","0.0005","13.9442","0.0012","90","","111.211","0.003","90","","911","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Br2 N2 O2 -","- C4 H14 Br2 N2 O2 -","- C16 H56 Br8 N8 O8 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0281","0.0231","","","0.0547","0.057","","","","","","1.165","","","","has coordinates","304900","2026-03-05","12:43:31",""
"7251557","9.7389","0.0008","9.5339","0.0008","10.3448","0.0009","90","","99.768","0.003","90","","946.59","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 Cl2 N2 O1.29 -","- C6 H16 Cl2 N2 O1.288 -","- C24 H64 Cl8 N8 O5.152 -","4","0.5","","Churakov, Andrei V.; Mel'nik, Elena A.; Egorov, Pavel A.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.","Anion-directed architectures in amine halide peroxosolvates: role of H2O2/H2O competition in crystal engineering","CrystEngComm","2026","28","7","1225","1237","10.1039/D5CE01038A","","","0.71073","MoKα","","0.0305","0.0265","","","0.0638","0.0666","","","","","","1.051","","","","has coordinates,has disorder","304900","2026-03-05","12:43:31",""
"7251558","9.4477","0.0014","9.5257","0.0014","34.801","0.004","90","","90.218","0.004","90","","3131.9","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H42 O5 -","- C38 H42 O5 -","- C152 H168 O20 -","4","2","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.1199","0.1151","","","0.3212","0.3244","","","","","","1.058","","","","has coordinates,has disorder","305339","2026-04-05","11:55:15",""
"7251559","9.2556","0.001","9.3831","0.0011","35.837","0.005","90","","90","","90","","3112.3","0.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O5 -","- C38 H42 O5 -","- C152 H168 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.0714","0.0654","","","0.1703","0.1753","","","","","","1.049","","","","has coordinates","305339","2026-04-05","11:55:15",""
"7251560","9.2541","0.0007","16.6075","0.0012","21.4755","0.0016","90","","90","","90","","3300.5","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O5 -","- C40 H44 O5 -","- C160 H176 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.044","0.0386","","","0.0901","0.0933","","","","","","1.028","","","","has coordinates,has disorder","305339","2026-04-05","11:55:15",""
"7251561","9.324","0.002","12.457","0.002","26.951","0.007","90","","90","","90","","3130.3","1.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O5 -","- C38 H42 O5 -","- C152 H168 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.0486","0.0391","","","0.0889","0.094","","","","","","1.042","","","","has coordinates","305339","2026-04-05","11:55:15",""
"7251562","9.6545","0.0007","11.2256","0.0007","29.717","0.002","90","","90","","90","","3220.7","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O5 -","- C40 H44 O5 -","- C160 H176 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.0436","0.0393","","","0.0979","0.1013","","","","","","1.036","","","","has coordinates","305339","2026-04-05","11:55:15",""
"7251563","9.3341","0.0012","9.9506","0.0013","18.611","0.003","100.611","0.004","98.637","0.004","91.317","0.004","1677.5","0.4","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C41 H46 O5 -","- C41 H46 O5 -","- C82 H92 O10 -","2","2","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.108","0.0898","","","0.2041","0.2155","","","","","","1.052","","","","has coordinates,has disorder","305339","2026-04-05","11:55:15",""
"7251564","9.1811","0.0019","15.953","0.004","22.039","0.006","90","","90","","90","","3228","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O5 -","- C40 H44 O5 -","- C160 H176 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.0468","0.038","","","0.084","0.0895","","","","","","1.029","","","","has coordinates","305339","2026-04-05","11:55:15",""
"7251565","9.324","0.002","15.978","0.004","22.244","0.006","90","","90","","90","","3313.9","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H46 O5 -","- C41 H46 O5 -","- C164 H184 O20 -","4","1","","Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi R.","TADDOLs and methylcyclohexanones: selectivity, resolution and the kinetics of decomposition","CrystEngComm","2026","28","10","1690","1698","10.1039/D5CE01022E","","","0.71073","MoKα","","0.0345","0.0321","","","0.0793","0.0808","","","","","","1.032","","","","has coordinates","305339","2026-04-05","11:55:15",""
"7251566","9.583","0.0019","10.432","0.002","11.513","0.002","111.09","0.03","106.87","0.03","94.31","0.03","1006.6","0.5","220","2","220","2","","","","","","","","4","P -1","-P 1","2","DMT-MN","2-(4-(diphenylamino)-2,6-dimethoxybenzylidene) malononitrile","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C48 H38 N6 O4 -","2","1","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.0577","0.0458","","","0.1222","0.1308","","","","","","1.039","","","","has coordinates","304290","2026-02-12","22:24:11",""
"7251567","9.192","0.0018","10.19","0.002","23.366","0.005","92.24","0.03","95.24","0.03","110.23","0.03","2039.2","0.8","220","2","220","2","","","","","","","","4","P -1","-P 1","2","DMT-CA","(Z)-2-cyano-3-(4-(diphenylamino)-2,6-dimethoxyphenyl) acrylamide","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","2","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.077","0.0525","","","0.1351","0.1498","","","","","","1.034","","","","has coordinates","304290","2026-02-12","22:24:11",""
"7251568","8.331","0.0017","15.739","0.003","16.743","0.003","90","","100.3","0.03","90","","2160","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DMT-CAA","(Z)-2-cyano-3-(4-(diphenylamino)-2,6-dimethoxyphenyl) acrylic acid","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C100 H96 N8 O20 -","4","1","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.1645","0.0715","","","0.168","0.2163","","","","","","0.98","","","","has coordinates","304290","2026-02-12","22:24:12",""
"7251569","8.599","0.0017","15.82","0.003","16.419","0.003","90","","98.3","0.03","90","","2210.2","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DMT-ECA","ethyl (Z)-2-cyano-3-(4-(diphenylamino)-2,6-dimethoxyphenyl) acrylate","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.0877","0.0552","","","0.1393","0.1571","","","","","","1.043","","","","has coordinates","304290","2026-02-12","22:24:12",""
"7251570","11.187","0.002","14.173","0.003","14.888","0.003","81.72","0.03","82.4","0.03","89.71","0.03","2315.2","0.8","220","2","220","2","","","","","","","","4","P -1","-P 1","2","DMT-BA","5-(4-(diphenylamino)-2,6-dimethoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C27 H25 N3 O5 -","- C27 H25 N3 O5 -","- C108 H100 N12 O20 -","4","2","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.1647","0.0837","","","0.2202","0.2743","","","","","","0.979","","","","has coordinates","304290","2026-02-12","22:24:12",""
"7251571","16.077","0.003","8.455","0.0017","18.89","0.004","90","","112.88","0.03","90","","2365.7","1","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMT-ID","2-(4-(diphenylamino)-2,6-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione","","- C30 H23 N O4 -","- C30 H23 N O4 -","- C120 H92 N4 O16 -","4","1","","Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dimethoxy-substituted triphenylamine-based donor–acceptor fluorophores: tunable solid-state emission and reversible thermofluorochromism","CrystEngComm","2026","28","6","1083","1090","10.1039/D5CE01002K","","","0.63","synchrotron","","0.0684","0.0505","","","0.1307","0.1411","","","","","","1.07","","","","has coordinates","304290","2026-02-12","22:24:12",""
"7251572","7.4671","0.0002","9.5062","0.0003","12.2972","0.0004","72.879","0.003","82.237","0.002","73.215","0.002","797.48","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 N2 O8 Sr2 -","- C16 H10 N2 O8 Sr2 -","- C32 H20 N4 O16 Sr4 -","2","1","","Singh, Atom Rajiv; Rajpurohit, Anil Singh; Sharma, Aribam Rishikanta; Jaccob, Madhavan; Laishram, Raju; Lonibala, Rajkumari","Unprecedented 3D-coordination polymeric frameworks of 5-aminoisophthalate with alkaline earth metals (Sr and Ba): catalytic and luminescent properties","CrystEngComm","2026","28","8","1431","1443","10.1039/D5CE01093D","","","0.71073","MoKα","","0.0609","0.0448","","","0.1267","0.1377","","","","","","1.047","","","","has coordinates","304894","2026-03-05","12:36:45",""
"7251573","7.521","0.0002","9.8113","0.0002","12.5148","0.0003","76.429","0.001","87.09","0.001","73.427","0.001","860.27","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H21 Ba4 Cl N4 O16 -","- C32 H21 Ba4 Cl N4 O16 -","- C32 H21 Ba4 Cl N4 O16 -","1","0.5","","Singh, Atom Rajiv; Rajpurohit, Anil Singh; Sharma, Aribam Rishikanta; Jaccob, Madhavan; Laishram, Raju; Lonibala, Rajkumari","Unprecedented 3D-coordination polymeric frameworks of 5-aminoisophthalate with alkaline earth metals (Sr and Ba): catalytic and luminescent properties","CrystEngComm","2026","28","8","1431","1443","10.1039/D5CE01093D","","","0.71073","MoKα","","0.0298","0.0203","","","0.0418","0.0456","","","","","","1.045","","","","has coordinates","304894","2026-03-05","12:36:49",""
"7251574","13.368","0.0004","11.6173","0.0003","7.3026","0.0002","90","","93.526","0.001","90","","1131.95","0.05","305","","305","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Bi F4 O7 -","- C8 H4 Bi F4 O7 -","- C32 H16 Bi4 F16 O28 -","4","1","","Huang, Tao; Peng, Rufang; Jin, Bo","Three novel green bismuth-based combustion catalysts for catalyzing the high-energy oxidizer RDX","CrystEngComm","2026","28","5","962","971","10.1039/D5CE01035G","","","0.71073","MoKα","","0.0332","0.0287","","","0.0763","0.0789","","","","","","1.089","","","","has coordinates","304292","2026-02-12","22:24:59",""
"7251575","11.3625","0.0015","17.769","0.003","10.2592","0.0013","90","","94.019","0.005","90","","2066.2","0.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Bi N3 O11 -","- C15 H21 Bi N3 O11 -","- C60 H84 Bi4 N12 O44 -","4","1","","Huang, Tao; Peng, Rufang; Jin, Bo","Three novel green bismuth-based combustion catalysts for catalyzing the high-energy oxidizer RDX","CrystEngComm","2026","28","5","962","971","10.1039/D5CE01035G","","x-ray","0.71073","MoKα","","0.0844","0.0485","","","0.0938","0.1074","","","","","","1.061","","","","has coordinates,has disorder","304292","2026-02-12","22:24:59",""
"7251576","12.9683","0.0004","16.8294","0.0004","16.713","0.0006","90","","91.479","0.001","90","","3646.38","0.19","301","","301","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Bi N3 O7 S2 -","- C33 H28 Bi N3 O7 S2 -","- C132 H112 Bi4 N12 O28 S8 -","4","1","","Huang, Tao; Peng, Rufang; Jin, Bo","Three novel green bismuth-based combustion catalysts for catalyzing the high-energy oxidizer RDX","CrystEngComm","2026","28","5","962","971","10.1039/D5CE01035G","","","0.71073","MoKα","","0.0679","0.0409","","","0.0804","0.0905","","","","","","1.018","","","","has coordinates,has disorder","304292","2026-02-12","22:24:59",""
"7251618","15.7357","0.0019","9.2093","0.0011","10.0884","0.0012","90","","101.195","0.004","90","","1434.1","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium hexafluorosilicate","","- C15 H16 F3 N O2 Si0.5 -","- C15 H16 F3 N O2 Si0.5 -","- C60 H64 F12 N4 O8 Si2 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1421","0.0624","","","0.1269","0.1559","","","","","","0.96","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251619","5.1138","0.0005","8.7321","0.0008","32.131","0.003","90","","90.068","0.002","90","","1434.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium iodide","","- C15 H16 I N O2 -","- C15 H16 I N O2 -","- C60 H64 I4 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0333","0.033","","","0.0817","0.0818","","","","","","1.053","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251620","7.9298","0.0002","8.3593","0.0002","43.8097","0.0009","90","","90","","90","","2904.04","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium chloride, water solvate","","- C15 H18 Cl N O3 -","- C15 H18 Cl N O3 -","- C120 H144 Cl8 N8 O24 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0593","0.0529","","","0.1022","0.1048","","","","","","1.042","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251621","9.8577","0.0014","20.466","0.003","10.6379","0.0015","90","","112.173","0.004","90","","1987.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N2 O10 S2 -","- C44 H46 N2 O10 S2 -","- C88 H92 N4 O20 S4 -","2","0.5","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1099","0.0593","","","0.1209","0.1402","","","","","","1.058","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251622","8.4977","0.0007","9.6352","0.0009","34.855","0.003","90","","90","","90","","2853.8","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium bromide","","- C15 H16 Br N O2 -","- C15 H16 Br N O2 -","- C120 H128 Br8 N8 O16 -","8","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0995","0.0809","","","0.166","0.1741","","","","","","1.058","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251623","9.6794","0.0005","9.7835","0.0005","12.1156","0.0006","100.66","0.002","100.472","0.002","106.479","0.002","1047.28","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'-[c-2,t-4-bis(3,4-dimethoxyphenyl)cyclobutane-r-1,t-3-diyl]dipyridinium bis(2,4,6-trinitrobenzenolate)","","- C42 H36 N8 O18 -","- C42 H36 N8 O18 -","- C42 H36 N8 O18 -","1","0.5","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0745","0.0517","","","0.1259","0.139","","","","","","1.027","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251624","7.1809","0.0005","25.9269","0.0018","23.5772","0.0016","90","","97.595","0.003","90","","4351.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate","","- C24 H23 N O5 S2 -","- C24 H23 N O5 S2 -","- C192 H184 N8 O40 S16 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0979","0.0575","","","0.1215","0.1426","","","","","","1.021","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251625","8.8022","0.0003","9.8851","0.0004","34.8148","0.0012","90","","90","","90","","3029.26","0.19","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1-methylpyridinium tetrafluoroborate","","- C15 H16 B F4 N O2 -","- C15 H16 B F4 N O2 -","- C120 H128 B8 F32 N8 O16 -","8","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0735","0.0477","","","0.0897","0.1001","","","","","","1.077","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251626","8.8672","0.0014","9.318","0.0015","35.514","0.006","90","","90","","90","","2934.3","0.8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium nitrate","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C120 H128 N16 O40 -","8","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.155","0.074","","","0.1337","0.1613","","","","","","1.027","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251627","9.4657","0.0005","10.2813","0.0006","12.6518","0.0006","108.94","0.002","95.789","0.002","98.472","0.002","1137.26","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-[2-c,4-t-bis(3,4-dimethoxyphenyl)cyclobutane-1-r,3-t-diyl]bis-1,3-benzothiazol-3-ium bis(2,4,6-trinitrobenzenolate)","","- C46 H36 N8 O18 S2 -","- C46 H36 N8 O18 S2 -","- C46 H36 N8 O18 S2 -","1","0.5","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.0662","0.0454","","","0.0938","0.1023","","","","","","1.035","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251628","8.2823","0.0005","12.122","0.0007","20.5398","0.0011","90","","99.496","0.002","90","","2033.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridinium picrate","","- C21 H18 N4 O9 -","- C21 H18 N4 O9 -","- C84 H72 N16 O36 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1023","0.0458","","","0.0966","0.1225","","","","","","0.997","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251629","7.164","0.0007","26.078","0.003","23.533","0.002","90","","98.064","0.003","90","","4353","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate / 2,2'-[2-c,4-t-bis(3,4-dimethoxyphenyl)cyclobutane-1-r,3-t-diyl]bis-1,3-benzothiazol-3-ium bis(4-methylbenzenesulfonate)","","- C24 H23 N O5 S2 -","- C23.999 H22.999 N O5 S2 -","- C191.992 H183.992 N8 O40 S16 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1567","0.0709","","","0.1338","0.1682","","","","","","1.024","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251630","7.1523","0.0008","26.1","0.003","23.418","0.003","90","","98.14","0.004","90","","4327.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate / 2,2'-[2-c,4-t-bis(3,4-dimethoxyphenyl)cyclobutane-1-r,3-t-diyl]bis-1,3-benzothiazol-3-ium bis(4-methylbenzenesulfonate)","","- C24 H23 N O5 S2 -","- C24 H23 N O5 S2 -","- C192 H184 N8 O40 S16 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1111","0.0666","","","0.1322","0.1545","","","","","","1.015","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251631","7.1325","0.0002","44.554","0.0012","23.0878","0.0006","90","","90","","90","","7336.9","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridine,co-crystallizate with benzoic acid","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C352 H336 N16 O64 -","16","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.1466","0.0662","","","0.1272","0.157","","","","","","1.014","","","","has coordinates","305789","2026-05-05","09:04:05",""
"7251632","12.0542","0.0008","13.2014","0.0009","16.667","0.0011","69.704","0.004","89.857","0.004","73.979","0.003","2378.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-[(E)-2-(3,4-dimethoxyphenyl)vinyl]quinolinium 4-methylbenzenesulfonate, benzene solvate","","- C27.5 H26.5 N O5 S -","- C27.5 H26.5 N O5 S -","- C110 H106 N4 O20 S4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Sazonov, Sergey K.; Aleksandrova, Nadezhda A.; Alfimov, Michael V.; Gromov, Sergey P.","Study of the influence of anion nature on crystal packing features and feasibility of [2 + 2] photocycloaddition reaction in protonated forms of dimethoxystyrylheterocycles","CrystEngComm","2026","28","16","2560","2577","10.1039/D5CE01173F","","","0.71073","MoKα","","0.2437","0.1037","","","0.1605","0.2049","","","","","","1.014","","","","has coordinates,has disorder","305789","2026-05-05","09:04:05",""
"7251642","7.5076","0.0006","11.7226","0.001","15.5802","0.0013","86.106","0.004","85.031","0.003","86.792","0.003","1361.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 F8 N2 O3 -","- C33 H20 F8 N2 O3 -","- C66 H40 F16 N4 O6 -","2","1","","Mali, Bhupendra P.; Dabke, Niteen B.; Sharma, Himanshu; Dash, Soumya Ranjan; Manoj, Kochunnoonny; Vanka, Kumar; Gonnade, Rajesh G.","Switchable solid-state emission in GFP chromophore analogue cocrystals via competing AIE and ACQ pathways","CrystEngComm","2026","28","11","1775","1780","10.1039/D6CE00041J","","","0.71073","MoKα","","0.0615","0.0531","","","0.1204","0.1243","","","","","","1.122","","","","has coordinates","305345","2026-04-05","11:59:04",""
"7251643","7.842","0.0003","8.0067","0.0003","44.0828","0.0019","87.523","0.002","88.221","0.002","78.969","0.001","2713.48","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 N6 O3 -","- C33 H22 N6 O3 -","- C132 H88 N24 O12 -","4","2","","Mali, Bhupendra P.; Dabke, Niteen B.; Sharma, Himanshu; Dash, Soumya Ranjan; Manoj, Kochunnoonny; Vanka, Kumar; Gonnade, Rajesh G.","Switchable solid-state emission in GFP chromophore analogue cocrystals via competing AIE and ACQ pathways","CrystEngComm","2026","28","11","1775","1780","10.1039/D6CE00041J","","","0.71073","MoKα","","0.0656","0.0537","","","0.1187","0.124","","","","","","1.105","","","","has coordinates","305345","2026-04-05","11:59:04",""
"7251644","7.7363","0.0003","21.8852","0.0008","14.6478","0.0006","90","","93.086","0.001","90","","2476.43","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 F5 N2 O4 -","- C29 H21 F5 N2 O4 -","- C116 H84 F20 N8 O16 -","4","1","","Mali, Bhupendra P.; Dabke, Niteen B.; Sharma, Himanshu; Dash, Soumya Ranjan; Manoj, Kochunnoonny; Vanka, Kumar; Gonnade, Rajesh G.","Switchable solid-state emission in GFP chromophore analogue cocrystals via competing AIE and ACQ pathways","CrystEngComm","2026","28","11","1775","1780","10.1039/D6CE00041J","","","0.71073","MoKα","","0.0997","0.0734","","","0.1318","0.1416","","","","","","1.148","","","","has coordinates","305345","2026-04-05","11:59:04",""
"7251645","13.7016","0.0003","10.0092","0.0003","19.051","0.0005","90","","95.077","0.001","90","","2602.44","0.12","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 N4 O3 P -","- C24 H41 N4 O3 P -","- C96 H164 N16 O12 P4 -","4","1","","Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López","Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols","CrystEngComm","2026","28","12","1938","1953","10.1039/D5CE01150G","","","1.54178","CuKα","","0.0448","0.0374","","","0.084","0.0877","","","","","","1.041","","","","has coordinates","305350","2026-04-05","11:59:55",""
"7251646","12.2774","0.0003","31.7772","0.0006","20.026","0.0004","90","","95.2292","0.0011","90","","7780.5","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H85 F18 N8 O12 P2 Tb -","- C63 H85 F18 N8 O12 P2 Tb -","- C252 H340 F72 N32 O48 P8 Tb4 -","4","1","","Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López","Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols","CrystEngComm","2026","28","12","1938","1953","10.1039/D5CE01150G","","","1.54178","CuKα","","0.0506","0.0389","","","0.0814","0.0862","","","","","","1.018","","","","has coordinates,has disorder","305350","2026-04-05","11:59:55",""
"7251647","19.445","0.0005","23.4941","0.0004","17.6409","0.0004","90","","90","","90","","8059.1","0.3","100","","100","","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C63 H85 F18 N8 Nd O12 P2 -","- C63 H85 F18 N8 Nd O12 P2 -","- C252 H340 F72 N32 Nd4 O48 P8 -","4","0.5","","Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López","Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols","CrystEngComm","2026","28","12","1938","1953","10.1039/D5CE01150G","","","1.54178","CuKα","","0.0479","0.0403","","","0.0954","0.0998","","","","","","1.046","","","","has coordinates,has disorder","305350","2026-04-05","11:59:55",""
"7251648","19.5128","0.0004","23.4721","0.0005","17.509","0.0005","90","","90","","90","","8019.2","0.3","100","","100","","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C63 H85 Eu F18 N8 O12 P2 -","- C63 H85 Eu F18 N8 O12 P2 -","- C252 H340 Eu4 F72 N32 O48 P8 -","4","0.5","","Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López","Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols","CrystEngComm","2026","28","12","1938","1953","10.1039/D5CE01150G","","","0.71073","MoKα","","0.0419","0.032","","","0.0621","0.0655","","","","","","1.048","","","","has coordinates,has disorder","305350","2026-04-05","11:59:55",""
"7251649","38.926","0.002","12.0395","0.0006","20.668","0.001","90","","111.217","0.004","90","","9029.5","0.8","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H43 Cu F12 N4 O7 P -","- C34 H43 Cu F12.003 N4 O7 P -","- C272 H344 Cu8 F96.024 N32 O56 P8 -","8","1","","Navarro, Yolanda; Soriano, Stéphane; de Castro Silva, Henrique; Iglesias, María José; Guedes, Guilherme P.; Ortiz, Fernando López","Coordination compounds based on a phosphonic diamide-TEMPO diradical and CuII, NdIII, EuIII and TbIII ions: synthesis, magnetic properties and application in the aerobic oxidation of allylic and benzylic alcohols","CrystEngComm","2026","28","12","1938","1953","10.1039/D5CE01150G","","","1.54178","CuKα","","0.0778","0.0597","","","0.142","0.1519","","","","","","1.031","","","","has coordinates,has disorder","305350","2026-04-05","11:59:55",""
"7251657","7.588","0.0002","7.931","0.0002","16.264","0.0005","86.363","0.005","87.854","0.005","69.099","0.003","912.41","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl4 Hg2 N4 O -","- C12 H10 Cl4 Hg2 N4 O -","- C24 H20 Cl8 Hg4 N8 O2 -","2","1","","Novikov, Alexander S.; Mahmoudi, Ghodrat; Azizova, Asmet N.; Zangrando, Ennio; Şahin, Ertan; Alexandrov, Eugeny V.; Roy, Subhadip; Adhikari, Suman","Coordination versatility and weak Hg⋯X (X = Cl, O, N) interactions in hydrazone-based Hg(ii) complexes: structural evolution from discrete units to extended architectures","CrystEngComm","2026","28","13","2036","2046","10.1039/D5CE01185J","","","0.71073","MoKα","","0.0457","0.0336","","","0.0711","0.0782","","","","","","1.071","","","","has coordinates","305342","2026-04-05","11:58:37",""
"7251658","13.647","0.005","16.454","0.005","8.229","0.003","90","","96.852","0.005","90","","1834.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl2 Hg N4 O -","- C18 H14 Cl2 Hg N4 O -","- C72 H56 Cl8 Hg4 N16 O4 -","4","1","","Novikov, Alexander S.; Mahmoudi, Ghodrat; Azizova, Asmet N.; Zangrando, Ennio; Şahin, Ertan; Alexandrov, Eugeny V.; Roy, Subhadip; Adhikari, Suman","Coordination versatility and weak Hg⋯X (X = Cl, O, N) interactions in hydrazone-based Hg(ii) complexes: structural evolution from discrete units to extended architectures","CrystEngComm","2026","28","13","2036","2046","10.1039/D5CE01185J","","","0.71073","MoKα","","0.0772","0.0415","","","0.0774","0.0937","","","","","","0.851","","","","has coordinates","305342","2026-04-05","11:58:37",""
"7251659","11.4724","0.0007","12.4973","0.0007","14.1981","0.0008","94.126","0.009","90.617","0.008","94.83","0.008","2022.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl6 Hg4 N8 O2 -","- C36 H26 Cl6 Hg4 N8 O2 -","- C72 H52 Cl12 Hg8 N16 O4 -","2","1","","Novikov, Alexander S.; Mahmoudi, Ghodrat; Azizova, Asmet N.; Zangrando, Ennio; Şahin, Ertan; Alexandrov, Eugeny V.; Roy, Subhadip; Adhikari, Suman","Coordination versatility and weak Hg⋯X (X = Cl, O, N) interactions in hydrazone-based Hg(ii) complexes: structural evolution from discrete units to extended architectures","CrystEngComm","2026","28","13","2036","2046","10.1039/D5CE01185J","","","0.71073","MoKα","","0.0273","0.0242","","","0.0607","0.0622","","","","","","1.039","","","","has coordinates","305342","2026-04-05","11:58:37",""
"7251663","14.761","0.0011","8.8319","0.0006","10.3387","0.0008","90","","95.102","0.007","90","","1342.49","0.17","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Co3 O6 Te -","- Co3 O6 Te -","- Co36 O72 Te12 -","12","1.5","","Zhou, Chaoqun; Wang, Luyao; Lei, Xiuyun; Yin, Congling; Liu, Laijun; Guo, Wenbin","A facile method to grow crystals of the cobalt tellurite multiferroic material Co3TeO6","CrystEngComm","2026","28","15","2468","2472","10.1039/D5CE01122A","","x-ray","0.71073","MoKα","","0.0635","0.06","","","0.1541","0.1591","","","","","","1.073","","","","has coordinates","305798","2026-05-05","09:05:12",""
"7251664","5.3509","0.0002","6.4894","0.0003","16.2659","0.0006","100.729","0.001","94.129","0.001","98.966","0.001","545.19","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cl4.3 I1.7 O4 -","- C20 H12 Cl4.2964 I1.7036 O4 -","- C20 H12 Cl4.2964 I1.7036 O4 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Exploiting π-type halogen bonds as a means to achieve mixed co-crystals: crystallographic and computational evidence of a Cl⋯π halogen bond in the organic solid state","CrystEngComm","2026","28","11","1770","1774","10.1039/D6CE00047A","","","0.71073","MoKα","","0.0124","0.0121","","","0.0289","0.029","","","","","","1.144","","","","has coordinates","305344","2026-04-05","11:59:00",""
"7251665","5.0898","0.0002","6.926","0.0003","16.2552","0.0006","99.932","0.001","93.092","0.001","96.812","0.001","558.83","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl4 I2 N2 O2 -","- C20 H14 Cl4 I2 N2 O2 -","- C20 H14 Cl4 I2 N2 O2 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Exploiting π-type halogen bonds as a means to achieve mixed co-crystals: crystallographic and computational evidence of a Cl⋯π halogen bond in the organic solid state","CrystEngComm","2026","28","11","1770","1774","10.1039/D6CE00047A","","","0.71073","MoKα","","0.0137","0.0133","","","0.0309","0.0312","","","","","","1.079","","","","has coordinates","305344","2026-04-05","11:59:00",""
"7251666","5.0831","0.001","6.9377","0.0011","16.19","0.005","100.35","0.009","93.108","0.014","96.628","0.007","556.3","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Cl4.37 I1.63 N2 O2 -","- C20 H14 Cl4.3698 I1.6302 N2 O2 -","- C20 H14 Cl4.3698 I1.6302 N2 O2 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Exploiting π-type halogen bonds as a means to achieve mixed co-crystals: crystallographic and computational evidence of a Cl⋯π halogen bond in the organic solid state","CrystEngComm","2026","28","11","1770","1774","10.1039/D6CE00047A","","","0.71073","MoKα","","0.0149","0.0144","","","0.0333","0.0335","","","","","","1.096","","","","has coordinates","305344","2026-04-05","11:59:00",""
"7251678","11.873","0.006","13.411","0.007","16.403","0.008","110.382","0.015","92.879","0.015","93.482","0.017","2437","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H30 F10 Ir N10 P -","- C50 H30 F10 Ir N10 P -","- C100 H60 F20 Ir2 N20 P2 -","2","1","","Khatua, Snehadrinarayan; Kashyap, Nimisha; Sen, Bhaskar; Baruah, Khanindram; Rabha, Monosh; Kalita, Dip Jyoti","A solvatochromic luminescence color switchable iridium(iii) complex of a click-generated ligand for nitroaromatic explosive detection","CrystEngComm","2026","28","15","2403","2414","10.1039/D5CE01192B","","","0.71073","MoKα","","0.1157","0.0573","","","0.1412","0.1729","","","","","","1.061","","","","has coordinates","305791","2026-05-05","09:04:34",""
"7251679","6.115","0.005","13.583","0.005","16.627","0.005","103.56","0.005","97.239","0.005","97.781","0.005","1312.2","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 Cl2 N8 -","- C29 H20 Cl2 N8 -","- C58 H40 Cl4 N16 -","2","1","","Khatua, Snehadrinarayan; Kashyap, Nimisha; Sen, Bhaskar; Baruah, Khanindram; Rabha, Monosh; Kalita, Dip Jyoti","A solvatochromic luminescence color switchable iridium(iii) complex of a click-generated ligand for nitroaromatic explosive detection","CrystEngComm","2026","28","15","2403","2414","10.1039/D5CE01192B","","","0.71073","MoKα","","0.2469","0.1374","","","0.346","0.4349","","","","","","1.139","","","","has coordinates","305791","2026-05-05","09:04:34",""
"7251680","7.418","0.0004","10.464","0.0005","13.3907","0.0006","107.421","0.001","103.868","0.001","94.011","0.002","951.49","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Mn N10 O7 -","- C40 H32 Mn N10 O7 -","- C40 H32 Mn N10 O7 -","1","0.5","","Kumar, Rakesh; Maiti, Anupam; Mahato, Bidyadhar; Ghoshal, Debajyoti","Luminescence property modulation through the structural modification of coordination polymers for ratiometric detection of mercuric ions in aqueous media","CrystEngComm","2026","28","15","2382","2392","10.1039/D5CE01203A","","","0.71073","MoKα","","0.0431","0.0392","","","0.1081","0.1113","","","","","","1.094","","","","has coordinates,has disorder","305794","2026-05-05","09:04:43",""
"7251681","7.4337","0.0002","10.3464","0.0003","13.1723","0.0004","107.531","0.001","103.41","0.001","92.959","0.001","931.62","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H31 Co N10 O6.5 -","- C40 H31 Co N10 O6.5 -","- C40 H31 Co N10 O6.5 -","1","0.5","","Kumar, Rakesh; Maiti, Anupam; Mahato, Bidyadhar; Ghoshal, Debajyoti","Luminescence property modulation through the structural modification of coordination polymers for ratiometric detection of mercuric ions in aqueous media","CrystEngComm","2026","28","15","2382","2392","10.1039/D5CE01203A","","","0.71073","MoKα","","0.0463","0.0392","","","0.0869","0.0907","","","","","","1.095","","","","has coordinates","305794","2026-05-05","09:04:43",""
"7251682","7.5222","0.0003","10.5057","0.0005","13.4534","0.0006","105.481","0.001","104.538","0.001","93.879","0.001","981.4","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 Mn N6 O7 -","- C44 H36 Mn N6 O7 -","- C44 H36 Mn N6 O7 -","1","0.5","","Kumar, Rakesh; Maiti, Anupam; Mahato, Bidyadhar; Ghoshal, Debajyoti","Luminescence property modulation through the structural modification of coordination polymers for ratiometric detection of mercuric ions in aqueous media","CrystEngComm","2026","28","15","2382","2392","10.1039/D5CE01203A","","","0.71073","MoKα","","0.0846","0.0698","","","0.1272","0.1318","","","","","","1.259","","","","has coordinates,has disorder","305794","2026-05-05","09:04:43",""
"7251686","20.2296","0.0018","5.0967","0.0004","21.5356","0.0018","90","","98.318","0.008","90","","2197.1","0.3","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Mn N2 O12 S -","- C16 H18 Mn N2 O12 S -","- C64 H72 Mn4 N8 O48 S4 -","4","0.5","","Maldonado, Igor A. V.; Fernandes, William S.; Cardozo, Thiago M.; Vaz, Maria G. F.; Cassaro, Rafael A. Allão","Single molecule magnet behavior in bis-oxamate one-dimensional coordination polymers: the effect of magnetic dilution","CrystEngComm","2026","28","8","1412","1421","10.1039/D5CE01042J","","","1.54184","CuKα","","0.0899","0.0659","","","0.1737","0.1919","","","","","","1.088","","","","has coordinates,has disorder","304730","2026-03-04","06:45:46",""
"7251687","19.8167","0.0017","5.0621","0.0005","21.336","0.003","90","","98.625","0.012","90","","2116.1","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.87 Cu0.13 N2 O13 S -","- C16 H20 Co0.87 Cu0.13 N2 O13 S -","- C64 H80 Co3.48 Cu0.52 N8 O52 S4 -","4","0.5","","Maldonado, Igor A. V.; Fernandes, William S.; Cardozo, Thiago M.; Vaz, Maria G. F.; Cassaro, Rafael A. Allão","Single molecule magnet behavior in bis-oxamate one-dimensional coordination polymers: the effect of magnetic dilution","CrystEngComm","2026","28","8","1412","1421","10.1039/D5CE01042J","","","0.82654","synchrotron","","0.1457","0.0948","","","0.2427","0.2727","","","","","","1.03","","","","has coordinates,has disorder","304730","2026-03-04","06:45:47",""
"7251688","15.469","0.002","17.297","0.002","16.518","0.002","90","","101.616","0.002","90","","4329.2","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Di-methylated beta-CD progesterone clathrate hydrate","heptakis(2,6-di-O-methyl)-β-cyclodextrin pregn-4-ene-3,20-dione clathrate hydrate","","- C77 H130.2 O38.1 -","- C77 H128 O38.125 -","- C154 H256 O76.25 -","2","1","","Vicatos, Alexios I.; Hoossen, Zakiena; Edmonds-Smith, Cesarina; Caira, Mino R.","Dimethylated β-cyclodextrin inclusion complexes containing the guest steroid hormones progesterone and 17β-estradiol: syntheses, crystal structures, thermal analyses and steroid solubility enhancements","CrystEngComm","2026","28","5","1019","1029","10.1039/D5CE01106J","","","0.71073","MoKα","","0.0947","0.0621","","","0.1555","0.1746","","","","","","1.019","","","","has coordinates,has disorder","304731","2026-03-04","06:47:49",""
"7251689","14.1388","0.0017","30.448","0.004","21.052","0.003","90","","107.687","0.002","90","","8634","2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Di-methylated beta-CD beta-estradiol clathrate hydrate","heptakis(2,6-di-O-methyl)-beta-cyclodextrin (17beta)- estra-1,3,5(10)-triene-3,17-diol clathrate hydrate","","- C148.4 H268 O85.6 -","- C148.34 H244.68 O85.872 -","- C296.68 H489.36 O171.744 -","2","1","","Vicatos, Alexios I.; Hoossen, Zakiena; Edmonds-Smith, Cesarina; Caira, Mino R.","Dimethylated β-cyclodextrin inclusion complexes containing the guest steroid hormones progesterone and 17β-estradiol: syntheses, crystal structures, thermal analyses and steroid solubility enhancements","CrystEngComm","2026","28","5","1019","1029","10.1039/D5CE01106J","","","0.71073","MoKα","","0.0975","0.068","","","0.1693","0.1879","","","","","","1.017","","","","has coordinates,has disorder","304731","2026-03-04","06:47:49",""
"7251702","19.2799","0.0014","21.1893","0.0016","24.3397","0.0017","94.007","0.004","95.264","0.003","110.225","0.003","9235.9","1.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C131 H180 Br F6 N18 O18 S2 -","- C131 H180 Br F6 N18 O18 S2 -","- C262 H360 Br2 F12 N36 O36 S4 -","2","1","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","","1.34139","GaKα","","0.108","0.0791","","","0.2442","0.2649","","","","","","1.071","","","","has coordinates,has disorder","305341","2026-04-05","11:58:29",""
"7251703","17.5583","0.0016","17.8234","0.0016","20.47","0.0017","95.95","0.004","92.33","0.004","102.751","0.004","6201.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H55 F3 N6 O11 S -","- C43 H55 F3 N6 O11 S -","- C172 H220 F12 N24 O44 S4 -","4","2","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","","1.34139","GaKα","","0.3666","0.3156","","","0.6573","0.6913","","","","","","2.839","","","","has coordinates","305341","2026-04-05","11:58:29",""
"7251704","15.482","0.004","17.588","0.004","23.232","0.006","73.27","0.011","74.936","0.01","77.737","0.01","5785","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H66 F3 N6 O9 S -","- C48 H66 F3 N6 O9 S -","- C192 H264 F12 N24 O36 S4 -","4","2","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","x-ray","1.34139","Synchrotron","GaKα","0.1186","0.1011","","","0.2763","0.2904","","","","","","1.11","","","","has coordinates,has disorder","305341","2026-04-05","11:58:29",""
"7251705","18.9098","0.0011","20.9683","0.0011","23.7373","0.0015","96.441","0.002","97.288","0.003","112.541","0.002","8488.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C131 H180 F6 I N18 O18 S2 -","- C131 H180 F6 I N18 O18 S2 -","- C262 H360 F12 I2 N36 O36 S4 -","2","1","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","","1.34139","GaKα","","0.0995","0.0773","","","0.2087","0.2246","","","","","","1.042","","","","has coordinates,has disorder","305341","2026-04-05","11:58:29",""
"7251706","11.0234","0.0007","14.6125","0.001","15.6272","0.001","107.66","0.003","97.768","0.003","90.951","0.003","2372.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H63 F3 N6 O8 S -","- C45 H63 F3 N6 O8 S -","- C90 H126 F6 N12 O16 S2 -","2","1","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","","1.34139","GaKα","","0.1164","0.1049","","","0.2529","0.2573","","","","","","1.192","","","","has coordinates,has disorder","305341","2026-04-05","11:58:29",""
"7251707","31.191","0.003","13.3642","0.0013","42.964","0.005","90","","110.582","0.004","90","","16766","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C148 H217 F9 N18 O25 S3 -","- C148 H217 F9 N18 O25 S3 -","- C592 H868 F36 N72 O100 S12 -","4","1","","Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan","Guest-induced diverse self-assemblies of an oligopyrrole","CrystEngComm","2026","28","13","2023","2028","10.1039/D5CE01204J","","x-ray","1.34139","Synchrotron","GaKα","0.1397","0.0878","","","0.2469","0.2874","","","","","","1.035","","","","has coordinates,has disorder","305341","2026-04-05","11:58:29",""
"7251766","22.6294","0.0015","9.8872","0.0006","15.745","0.0012","90","","125.515","0.004","90","","2867.4","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H20.55 B2 Cl2 Fe N10 O12.27 -","- C22 H20.548 B2 Cl2 Fe N10 O12.274 -","- C88 H82.192 B8 Cl8 Fe4 N40 O49.096 -","4","0.5","","Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M.","Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties","CrystEngComm","2026","28","15","2355","2363","10.1039/D6CE00062B","","","0.71073","MoKα","","0.0351","0.0289","","","0.0686","0.0735","","","","","","1.057","","","","has coordinates","305795","2026-05-05","09:04:48",""
"7251767","16.4968","0.0012","18.4483","0.0013","20.7114","0.0016","90","","91.181","0.003","90","","6301.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H76 B2 Cl2 Fe N10 O14 -","- C48.008 H76.02 B2 Cl2 Fe N10 O14.002 -","- C192.032 H304.08 B8 Cl8 Fe4 N40 O56.008 -","4","1","","Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M.","Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties","CrystEngComm","2026","28","15","2355","2363","10.1039/D6CE00062B","","","0.71073","MoKα","","0.0704","0.0573","","","0.1537","0.1648","","","","","","1.074","","","","has coordinates,has disorder","305795","2026-05-05","09:04:48",""
"7251768","23.6479","0.0017","10.1118","0.0006","16.0253","0.0011","90","","126.737","0.004","90","","3070.9","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 B2 Cl2 Fe N10 O12 -","- C24 H24 B2 Cl2 Fe N10 O12 -","- C96 H96 B8 Cl8 Fe4 N40 O48 -","4","0.5","","Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M.","Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties","CrystEngComm","2026","28","15","2355","2363","10.1039/D6CE00062B","","","0.71073","MoKα","","0.0563","0.0432","","","0.0966","0.1042","","","","","","1.073","","","","has coordinates","305795","2026-05-05","09:04:48",""
"7251769","25.4259","0.0015","10.095","0.0005","16.2659","0.0011","90","","126.226","0.003","90","","3368","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 B2 Cl2 Fe N10 O12 -","- C26 H28 B2 Cl2 Fe N10 O12 -","- C104 H112 B8 Cl8 Fe4 N40 O48 -","4","0.5","","Zhang, Minghui; Heinemann, Frank W.; Khusniyarov, Marat M.","Spin-crossover iron(ii) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties","CrystEngComm","2026","28","15","2355","2363","10.1039/D6CE00062B","","","0.71073","MoKα","","0.0385","0.0314","","","0.0761","0.0803","","","","","","1.054","","","","has coordinates","305795","2026-05-05","09:04:48",""
"7251777","20.8124","0.001","24.2224","0.0011","31.0731","0.0011","112.136","0.002","92.155","0.002","91.899","0.002","14480.9","1.1","80","","80","","","","","","","","","5","P -1","-P 1","2","","Zn-HTT","","- C114 H60 N6 S36 Zn10 -","- C114 H60 N6 S36 Zn10 -","- C228 H120 N12 S72 Zn20 -","2","1","","Qin, Haihan; Hu, Jieying; Li, Jian-Rong; Jiang, Long; Chung, Lai-Hon; He, Jun","From 3-fold to 6-fold: tuning interpenetration of Zn-triphenylenehexathiolate MOF through precursor hydration","CrystEngComm","2026","28","15","2305","2310","10.1039/D6CE00077K","","","1.34138","GaKα","","0.1439","0.1199","","","0.2443","0.2534","","","","","","1.065","","","","has coordinates","305793","2026-05-05","09:04:40",""
"7251788","9.66347","0.00014","27.2681","0.0003","9.86176","0.00018","90","","115.374","0.002","90","","2347.93","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 O P -","- C32 H23 O P -","- C128 H92 O4 P4 -","4","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.0398","0.0361","","","0.0929","0.0952","","","","","","1.059","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251789","9.88921","0.00008","23.15594","0.00018","8.93733","0.00007","90","","92.3493","0.0007","90","","2044.87","0.03","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 O P -","- C28 H19 O P -","- C112 H76 O4 P4 -","4","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.0405","0.039","","","0.1103","0.1119","","","","","","1.048","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251790","9.90452","0.00011","19.8613","0.0002","11.16039","0.00011","90","","100.325","0.001","90","","2159.89","0.04","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 O P -","- C30 H19 O P -","- C120 H76 O4 P4 -","4","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.0414","0.0395","","","0.1068","0.1083","","","","","","1.031","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251791","8.70743","0.00011","11.37805","0.00014","21.6228","0.0003","90","","95.787","0.0011","90","","2131.33","0.05","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 O P -","- C30 H19 O P -","- C120 H76 O4 P4 -","4","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.0505","0.0458","","","0.1337","0.1377","","","","","","1.109","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251792","9.8161","0.0008","10.1226","0.0005","11.6958","0.0009","109.508","0.005","99.186","0.007","93.455","0.006","1073.3","0.14","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 O P -","- C28 H19 O P -","- C56 H38 O2 P2 -","2","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.1137","0.0809","","","0.2471","0.3249","","","","","","1.184","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251793","17.2834","0.0004","9.4529","0.0002","14.7171","0.0003","90","","99.788","0.002","90","","2369.45","0.09","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 O P -","- C34 H23 O P -","- C136 H92 O4 P4 -","4","1","","Konno, Ryunosuke; Fujita, Manami; Maekawa, Rima; Masu, Hyuma; Katagiri, Kosuke","Preparation of phosphine oxides with anthrylphenyl, pyrenylphenyl, anthrylethynyl, and pyrenylethynyl groups: luminescence properties and conformational polymorphs","CrystEngComm","2026","28","15","2455","2467","10.1039/D5CE00837A","","x-ray","1.54184","CuKα","","0.046","0.0382","","","0.1282","0.1352","","","","","","1.049","","","","has coordinates","305797","2026-05-05","09:05:07",""
"7251795","6.00275","0.00008","6.65883","0.00006","8.48721","0.0001","74.6832","0.0009","74.3039","0.0011","81.0102","0.0009","313.677","0.007","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H6 Cd O7 -","- C2 H6 Cd O7 -","- C4 H12 Cd2 O14 -","2","1","","Ahmed, Azaz; Ahmad, Musheer; Thakur, Chandrakant; Kumar, Astakala Anil; Lee, Nohyun; Haq, Nazrul; Siddiqui, Kafeel Ahmad","NiS2-integrated Cd-oxalate MOF: a multifunctional platform for selective 2,4-D amine sensing and efficient NR/EBT photodegradation","CrystEngComm","2026","28","15","2333","2354","10.1039/D5CE01183C","","x-ray","0.71073","MoKα","","0.028","0.0268","","","0.0707","0.0745","","","","","","1.0715","","","","has coordinates","305792","2026-05-05","09:04:36",""
"7251797","12.1789","0.0009","34.017","0.002","13.7034","0.0009","90","","106.976","0.003","90","","5429.8","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 N8 O16 Ti4 -","- C48 H48 N8 O16 Ti4 -","- C192 H192 N32 O64 Ti16 -","4","1","","Wang, Qi; Li, Haoran; Jin, Xinuo; Gao, Wendi; Peng, Hui; Cai, Yuqing; Zi, Wenwen; Yin, Wenyu; Hou, Jinle; Sun, Di","A family of 2,8-quinolinediol-functionalized titanium-oxo clusters with tunable photoelectric properties","CrystEngComm","2026","28","15","2373","2381","10.1039/D6CE00092D","","","1.54178","CuKα","","0.0811","0.0587","","","0.1533","0.1703","","","","","","1.026","","","","has coordinates","305796","2026-05-05","09:04:58",""
"7251798","11.8028","0.0006","14.1791","0.0009","21.4908","0.0015","101.187","0.006","99.125","0.005","97.103","0.005","3439","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H95 N O24 Ti7 -","- C45 H94.9976 N O24 Ti7 -","- C90 H189.995 N2 O48 Ti14 -","2","1","","Wang, Qi; Li, Haoran; Jin, Xinuo; Gao, Wendi; Peng, Hui; Cai, Yuqing; Zi, Wenwen; Yin, Wenyu; Hou, Jinle; Sun, Di","A family of 2,8-quinolinediol-functionalized titanium-oxo clusters with tunable photoelectric properties","CrystEngComm","2026","28","15","2373","2381","10.1039/D6CE00092D","","x-ray","0.71073","MoKα","","0.1519","0.0896","","","0.237","0.2827","","","","","","1.104","","","","has coordinates,has disorder","305796","2026-05-05","09:04:58",""
"7251799","12.2092","0.0018","14.93","0.002","14.963","0.002","88.874","0.003","70.367","0.003","72.202","0.003","2435.5","0.6","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 N4 O18 Ti5 -","- C44 H44 N4 O18 Ti5 -","- C88 H88 N8 O36 Ti10 -","2","1","","Wang, Qi; Li, Haoran; Jin, Xinuo; Gao, Wendi; Peng, Hui; Cai, Yuqing; Zi, Wenwen; Yin, Wenyu; Hou, Jinle; Sun, Di","A family of 2,8-quinolinediol-functionalized titanium-oxo clusters with tunable photoelectric properties","CrystEngComm","2026","28","15","2373","2381","10.1039/D6CE00092D","","","0.71073","MoKα","","0.1225","0.0719","","","0.1953","0.2958","","","","","","1.066","","","","has coordinates","305796","2026-05-05","09:04:58",""
"7251803","23.2456","0.0012","23.2456","0.0012","16.2338","0.0011","90","","90","","120","","7596.8","0.8","200","","200","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C20 H24 Cl2 F4 N6 O8 Zr -","- C20 H24 Cl2 F4 N6 O8 Zr -","- C120 H144 Cl12 F24 N36 O48 Zr6 -","6","0.5","","Liu, Yuxin; Shao, Zhen-Wu; Duan, Xiangping; Xiong, Chaozhi; Li, Xiaoting; Liu, Chong","Substituent effects in the crystallization of Zr-hydroxamate metal–organic frameworks","CrystEngComm","2026","28","14","2120","2124","10.1039/D6CE00114A","","x-ray","1.54178","CuKα","","0.0559","0.0466","","","0.1313","0.1372","","","","","","1.024","","","","has coordinates,has disorder","305790","2026-05-05","09:04:16",""
"7251804","16.505","0.004","16.505","0.004","15.103","0.005","90","","90","","90","","4114","2","237","","237","","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C32 H16 Br8 N8 O16 Zr2 -","- C32 H16 Br8 N8 O16 Zr2 -","- C64 H32 Br16 N16 O32 Zr4 -","2","0.0625","","Liu, Yuxin; Shao, Zhen-Wu; Duan, Xiangping; Xiong, Chaozhi; Li, Xiaoting; Liu, Chong","Substituent effects in the crystallization of Zr-hydroxamate metal–organic frameworks","CrystEngComm","2026","28","14","2120","2124","10.1039/D6CE00114A","","x-ray","0.71073","MoKα","","0.0904","0.0834","","","0.2467","0.2536","","","","","","1.145","","","","has coordinates,has disorder","305790","2026-05-05","09:04:16",""
"7251805","15.3299","0.0007","17.5645","0.0007","14.9948","0.0009","90","","90","","90","","4037.5","0.3","100","0.1","100","0.1","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C22 H22 Cl6 N6 O10 Zr -","- C22 H22 Cl6 N6 O10 Zr -","- C88 H88 Cl24 N24 O40 Zr4 -","4","0.25","","Liu, Yuxin; Shao, Zhen-Wu; Duan, Xiangping; Xiong, Chaozhi; Li, Xiaoting; Liu, Chong","Substituent effects in the crystallization of Zr-hydroxamate metal–organic frameworks","CrystEngComm","2026","28","14","2120","2124","10.1039/D6CE00114A","","x-ray","1.54184","CuKα","","0.1374","0.1355","","","0.3377","0.338","","","","","","1.183","","","","has coordinates,has disorder","305790","2026-05-05","09:04:16",""
"7251806","8.1244","0.0009","10.3705","0.0008","26.277","0.002","80.405","0.007","86.616","0.009","88.202","0.007","2178.6","0.3","175","5","175","5","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N6 O5 S -","- C21 H18 N6 O5 S -","- C84 H72 N24 O20 S4 -","4","2","","Danks, Jacob; Rainer, Daniel N.; Hamza, Ahmed S.; Coles, Simon J.; Carter, Anthony B.; Benson, Joseph E. G.","High-throughput co-former screening and structural elucidation using resonant acoustic mixing and 3D electron diffraction","CrystEngComm","2026","28","13","2018","2022","10.1039/D5CE01188D","single crystal","electron","0.0251","electron","","0.1995","0.1325","","","0.3723","0.4243","","","","","","1.0157","","","","has coordinates,has disorder","305340","2026-04-05","11:58:20",""
"7251807","19.4997","0.0019","6.2871","0.0003","19.695","0.002","90","","106.129","0.013","90","","2319.5","0.4","175","5","175","5","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C23 H20 N6 O5 S -","- C23 H20 N6 O5 S -","- C92 H80 N24 O20 S4 -","4","1","","Danks, Jacob; Rainer, Daniel N.; Hamza, Ahmed S.; Coles, Simon J.; Carter, Anthony B.; Benson, Joseph E. G.","High-throughput co-former screening and structural elucidation using resonant acoustic mixing and 3D electron diffraction","CrystEngComm","2026","28","13","2018","2022","10.1039/D5CE01188D","single crystal","electron","0.0251","electron","","0.1908","0.1499","","","0.3812","0.4054","","","","","","1.0532","","","","has coordinates","305340","2026-04-05","11:58:20",""
"7251818","16.736","0.0004","4.91439","0.00011","21.9254","0.0005","90","","98.24","0.002","90","","1784.69","0.07","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C68 H80 N16 O20 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0674","0.0493","","","0.1331","0.1508","","","","","","1.039","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251819","20.1578","0.0005","4.90086","0.00014","32.5043","0.0009","90","","90.875","0.002","90","","3210.74","0.15","297","1","297","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 N7 O8 -","- C29 H37 N7 O8 -","- C116 H148 N28 O32 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0994","0.0538","","","0.1407","0.1726","","","","","","1.018","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251820","24.8829","0.0008","6.1032","0.0002","23.3288","0.0012","90","","100.391","0.004","90","","3484.7","0.2","295","0.4","295","0.4","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C136 H160 N32 O40 -","8","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0938","0.0655","","","0.1849","0.2083","","","","","","1.048","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251821","12.5882","0.0002","5.1749","0.00007","23.3666","0.0004","90","","91.8814","0.0016","90","","1521.34","0.04","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N4 O5 -","- C15 H16 N4 O5 -","- C60 H64 N16 O20 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0554","0.0443","","","0.1044","0.1091","","","","","","1.084","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251822","6.42159","0.00009","12.65205","0.00014","13.02701","0.00017","76.6124","0.001","75.8298","0.0012","80.7872","0.001","992.29","0.02","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N4 O5 -","- C20 H26 N4 O5 -","- C40 H52 N8 O10 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0408","0.0391","","","0.114","0.1156","","","","","","1.081","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251823","6.15171","0.00012","12.3495","0.0004","12.6749","0.0004","73.875","0.003","79.965","0.002","76.405","0.002","892.97","0.05","295.9","0.3","295.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C34 H40 N8 O10 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0453","0.0426","","","0.1253","0.1287","","","","","","1.078","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251824","5.8059","0.0004","11.8005","0.001","12.9057","0.0016","73.991","0.009","78.882","0.009","78.277","0.007","823.35","0.14","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N4 O5 -","- C16 H18 N4 O5 -","- C32 H36 N8 O10 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0555","0.0495","","","0.1439","0.1498","","","","","","1.057","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251825","6.21761","0.00015","12.5048","0.0002","12.7578","0.0004","79.345","0.002","78.28","0.003","80.4467","0.0017","945.96","0.04","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O5 -","- C18 H22 N4 O5 -","- C36 H44 N8 O10 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","x-ray","1.54184","CuKα","","0.0402","0.0375","","","0.1073","0.1092","","","","","","1.103","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251826","6.35274","0.00015","12.46903","0.00018","12.9378","0.0003","97.3653","0.0016","103.862","0.002","99.5009","0.0015","966.17","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N4 O5 -","- C19 H24 N4 O5 -","- C38 H48 N8 O10 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Modulating some photophysical properties of cocrystals","CrystEngComm","2026","28","16","2548","2559","10.1039/D6CE00063K","","","1.54184","CuKα","","0.0412","0.039","","","0.1136","0.1162","","","","","","1.083","","","","has coordinates","305788","2026-05-05","09:03:51",""
"7251846","12.183","0.002","19.984","0.004","20.262","0.004","83.979","0.003","74.039","0.003","75.983","0.003","4597.8","1.5","170","","170","","","","","","","","","9","P -1","-P 1","2","","1","","- C90 H80 Cu I Mn Mo6 N2 O26.75 P3 -","- C90 H80 Cu I Mn Mo6 N2 O27 P3 -","- C180 H160 Cu2 I2 Mn2 Mo12 N4 O54 P6 -","2","1","","Lei, Hui-Xue; Zhang, Ze-Xun; Li, Xin-Xiong; Wei, Qiao-Huang; Li, Hao-Hong; Zheng, Shou-Tian","Regulating memristor performance of organic–inorganic hybrid polyoxometalates via counter cations","CrystEngComm","2026","28","16","2535","2541","10.1039/D6CE00045B","","","0.71073","MoKα","","0.1279","0.0561","","","0.126","0.1608","","","","","","1.028","","","","has coordinates","305787","2026-05-05","09:03:46",""
"7251847","16.838","0.002","17.871","0.002","20.708","0.003","91.9","0.002","100.406","0.002","107.973","0.002","5803.3","1.3","170","","170","","","","","","","","","9","P -1","-P 1","2","","1","","- C96 H121 Cu I Mn Mo6 N17 O24 P2 -","- C68 H79 Cu I Mn Mo6 N3 O24 P2 -","- C136 H158 Cu2 I2 Mn2 Mo12 N6 O48 P4 -","2","1","","Lei, Hui-Xue; Zhang, Ze-Xun; Li, Xin-Xiong; Wei, Qiao-Huang; Li, Hao-Hong; Zheng, Shou-Tian","Regulating memristor performance of organic–inorganic hybrid polyoxometalates via counter cations","CrystEngComm","2026","28","16","2535","2541","10.1039/D6CE00045B","","","0.71073","MoKα","","0.0625","0.0523","","","0.1597","0.1745","","","","","","1.03","","","","has coordinates","305787","2026-05-05","09:03:46",""
"7251893","13.346","0.013","7.489","0.006","14.808","0.013","90","","107.83","0.02","90","","1409","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Favipiravir Theophylline Cocrystal Form I","","- C12 H12 F N7 O4 -","- C12 H12 F N7 O4 -","- C48 H48 F4 N28 O16 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Synthon-driven polymorphism in the favipiravir–theophylline cocrystal","CrystEngComm","2026","28","17","2721","2735","10.1039/D6CE00187D","","","0.71073","MoKα","","0.1697","0.0619","","","0.1052","0.1381","","","","","","1.02","","","","has coordinates","305799","2026-05-05","09:05:37",""
"7251894","7.228","0.005","13.95","0.01","14.273","0.012","90","","95.548","0.019","90","","1432.4","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Favipiravir Theophylline Cocrystal Form II","","- C12 H12 F N7 O4 -","- C12 H12 F N7 O4 -","- C48 H48 F4 N28 O16 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Synthon-driven polymorphism in the favipiravir–theophylline cocrystal","CrystEngComm","2026","28","17","2721","2735","10.1039/D6CE00187D","","","0.71073","MoKα","","0.0569","0.046","","","0.1194","0.1268","","","","","","1.078","","","","has coordinates","305799","2026-05-05","09:05:37",""
"7251945","10.24","0.009","6.055","0.005","9.734","0.008","90","","108.636","0.017","90","","571.9","0.8","215","2","215.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isobutyramide","2-methylpropionamide","","- C4 H9 N O -","- C4 H9 N O -","- C16 H36 N4 O4 -","4","1","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.0645","0.0582","","","0.1783","0.1892","","","","","","1.079","","","","has coordinates","305702","2026-05-04","07:06:44",""
"7251946","22.649","0.015","6.262","0.004","9.768","0.006","90","","100.597","0.009","90","","1361.7","1.5","215","2","215.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","isovaleramide","3-methylbutyramide","","- C5 H11 N O -","- C5 H11 N O -","- C40 H88 N8 O8 -","8","1","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.1108","0.0751","","","0.2165","0.2485","","","","","","1.047","","","","has coordinates","305702","2026-05-04","07:06:44",""
"7251947","14.598","0.004","6.1587","0.0019","10.129","0.003","90","","105.121","0.004","90","","879.1","0.4","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-2-phenylpropionamide","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.0391","0.0366","","","0.0989","0.1015","","","","","","1.057","","","","has coordinates","305702","2026-05-04","07:06:44",""
"7251948","16.333","0.011","6.118","0.004","8.926","0.006","90","","90.79","0.012","90","","891.8","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-phenylbutyramide","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.0837","0.0725","","","0.2095","0.2137","","","","","","0.99","","","","has coordinates","305702","2026-05-04","07:06:44",""
"7251949","5.0331","0.0012","7.954","0.0019","12.55","0.003","98.921","0.006","101.549","0.004","99.419","0.004","476.4","0.2","200","2","200.15","","","","","","","","","4","P -1","-P 1","2","valpromide","2-propylvaleramide","","- C8 H17 N O -","- C8 H17 N O -","- C16 H34 N2 O2 -","2","1","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.1178","0.0769","","","0.2151","0.2454","","","","","","1.069","","","","has coordinates,has disorder","305702","2026-05-04","07:06:44",""
"7251950","19.433","0.009","11.133","0.005","27.951","0.013","90","","90.386","0.006","90","","6047","5","215","2","215.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-phenylacetamide","","- C8 H9 N O -","- C8 H9 N O -","- C256 H288 N32 O32 -","32","4","","Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.","Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides","CrystEngComm","2026","28","16","2648","2657","10.1039/D6CE00075D","","","0.71073","MoKα","","0.1804","0.0653","","","0.1433","0.1897","","","","","","0.975","","","","has coordinates","305702","2026-05-04","07:06:44",""