# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-29T04:35:03+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
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""
"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",""